--- branches/development/src/parallel/ForceMatrixDecomposition.hpp	2011/08/12 19:59:56	1612
+++ branches/development/src/parallel/ForceMatrixDecomposition.hpp	2012/05/24 20:59:54	1723
@@ -36,7 +36,8 @@
  * [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).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
 #ifndef PARALLEL_FORCEMATRIXDECOMPOSITION_HPP
@@ -69,6 +70,7 @@ namespace OpenMD {
 
     // group bookkeeping
     groupCutoffs getGroupCutoffs(int cg1, int cg2);
+    Vector3d getGroupVelocityColumn(int cg2);
 
     // Group->atom bookkeeping
     vector<int> getAtomsInGroupRow(int cg1);
@@ -90,6 +92,7 @@ namespace OpenMD {
     bool excludeAtomPair(int atom1, int atom2);
     void addForceToAtomRow(int atom1, Vector3d fg);
     void addForceToAtomColumn(int atom2, Vector3d fg);
+    Vector3d getAtomVelocityColumn(int atom2);
 
     // filling interaction blocks with pointers
     void fillInteractionData(InteractionData &idat, int atom1, int atom2);
@@ -106,8 +109,7 @@ namespace OpenMD {
     vector<int> groupToGtype;
 
 #ifdef IS_MPI    
-    DataStorage atomRowData;
-    DataStorage atomColData;
+    DataStorage atomRowData;    DataStorage atomColData;
     DataStorage cgRowData;
     DataStorage cgColData;