--- branches/development/src/parallel/ForceDecomposition.cpp	2011/06/08 16:05:07	1576
+++ branches/development/src/parallel/ForceDecomposition.cpp	2011/06/21 06:34:35	1586
@@ -47,7 +47,7 @@ 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();
@@ -87,9 +87,11 @@ 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 = ff_->getAtomType(idents[atom1]);
+        
+    // Still Missing skippedCharge
     if (storageLayout_ & DataStorage::dslElectroFrame) {
       sdat.eFrame = &(snap_->atomData.electroFrame[atom1]);
     }
@@ -110,11 +112,13 @@ namespace OpenMD {
       sdat.dfrhodrho = &(snap_->atomData.functionalDerivative[atom1]);
     }
 
+    if (storageLayout_ & DataStorage::dslSkippedCharge) {
+      sdat.skippedCharge = &(snap_->atomData.skippedCharge[atom1]);
+    }
+
     if (storageLayout_ & DataStorage::dslParticlePot) {
       sdat.particlePot = &(snap_->atomData.particlePot[atom1]);
     }
-
-    return sdat;    
   }
 
   bool ForceDecomposition::checkNeighborList() {
@@ -124,7 +128,10 @@ namespace OpenMD {
     // if we have changed the group identities or haven't set up the
     // saved positions we automatically will need a neighbor list update:
 
-    if ( saved_CG_positions_.size() != nGroups ) return true;
+    if ( saved_CG_positions_.size() != nGroups ) {
+      cerr << "build because size\n";
+      return true;
+    }
 
     RealType dispmax = 0.0;
     Vector3d disp;    
@@ -142,6 +149,13 @@ namespace OpenMD {
     // a conservative test of list skin crossings
     dispmax = 2.0 * sqrt (3.0 * dispmax * dispmax);
 
-    return (dispmax > skinThickness_);    
+
+    if (dispmax > skinThickness_) {
+      cerr << "build because movement\n";
+      return (dispmax > skinThickness_);   
+    } else {
+      cerr << "not rebuilding\n";
+    }
+    return false;
   }
 }