--- branches/development/src/parallel/ForceDecomposition.hpp	2011/01/11 18:58:12	1538
+++ branches/development/src/parallel/ForceDecomposition.hpp	2011/03/18 19:31:52	1544
@@ -1,13 +1,6 @@
-/**
- * @file ForceDecomposition.cpp
- * @author Charles Vardeman <cvardema.at.nd.edu>
- * @date 08/18/2010
- * @time 11:56am
- * @version 1.0
+/*
+ * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
  *
- * @section LICENSE
- * Copyright (c) 2010 The University of Notre Dame. All Rights Reserved.
- *
  * The University of Notre Dame grants you ("Licensee") a
  * non-exclusive, royalty free, license to use, modify and
  * redistribute this software in source and binary code form, provided
@@ -45,41 +38,71 @@
  * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
  * [4]  Vardeman & Gezelter, in progress (2009).                        
  */
+ 
+#ifndef PARALLEL_FORCEDECOMPOSITION_HPP
+#define PARALLEL_FORCEDECOMPOSITION_HPP
 
+#include "Parallel/Decomposition.hpp"
+#include "math/SquareMatrix3.hpp"
 
-/*  -*- c++ -*-  */
-#ifndef FORCEDECOMPOSITION_PARALLEL_HPP
-#define FORCEDECOMPOSITION_PARALLEL_HPP
+#ifdef IS_MPI
+#include "Parallel/Communicator.hpp"
+#endif
 
-
-namespace OpenMD{
-
-class ForceDecomposition
-{
- public:
-  ForceDecomposition();
-  virtual ~ForceDecomposition();
-  void gather();
-  void scatter();
+using namespace std;
+namespace OpenMD {
   
- protected:
- private:
-  int myRank_;
-  static bool isColumn_;
-  static int myIndex_:
-};
+  class ForceDecomposition : public Decomposition {
+  public:
+    ForceDecomposition(SimInfo* info) : Decomposition(info) {sman_ = info_->getSnapshotManager();}
+    void distributeInitialData();
+    void distributeData();
+    void collectIntermediateData();
+    void distributeIntermediateData();
+    void collectData();
 
+    unsigned int getNcutoffGroupsI();
+    unsigned int getNcutoffGroupsJ();
 
+    vector<int> getAtomsInGroupI(int whichCGI);
+    vector<int> getAtomsInGroupJ(int whichCGJ);
 
-}
+    AtomType* getAtomTypeI(int whichAtomI);
+    AtomType* getAtomTypeJ(int whichAtomJ);   
 
+  private: 
+    SnapshotManager* sman_;    
+#ifdef IS_MPI    
+    Communicator<Row, int>* AtomCommIntI;
+    Communicator<Row, RealType>* AtomCommRealI; 
+    Communicator<Row, Vector3d>* AtomCommVectorI; 
+    Communicator<Row, Mat3x3d>*  AtomCommMatrixI; 
 
+    Communicator<Column, int>* AtomCommIntJ;
+    Communicator<Column, RealType>* AtomCommRealJ; 
+    Communicator<Column, Vector3d>* AtomCommVectorJ; 
+    Communicator<Column, Mat3x3d>*  AtomCommMatrixJ; 
 
+    Communicator<Row, int>* cgCommIntI;
+    Communicator<Row, Vector3d>* cgCommVectorI; 
+    Communicator<Column, int>* cgCommIntJ;
+    Communicator<Column, Vector3d>* cgCommVectorJ; 
 
+    vector<vector<RealType> > pot_row;
+    vector<vector<RealType> > pot_col;
+    vector<int> identRow;
+    vector<int> identCol;
 
+    vector<int> AtomLocalToGlobal;
+    vector<int> AtomRowToGlobal;
+    vector<int> AtomColToGlobal;
+    vector<int> cgLocalToGlobal;
+    vector<int> cgRowToGlobal;
+    vector<int> cgColToGlobal;
+#endif
+    vector<RealType> pot_local;
+  };
 
-
-
+}
 #endif
 
-