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root/OpenMD/trunk/src/parallel/ForceDecomposition.hpp
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Comparing branches/development/src/parallel/ForceDecomposition.hpp (file contents):
Revision 1579 by gezelter, Thu Jun 9 20:26:29 2011 UTC vs.
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC

# Line 135 | Line 135 | namespace OpenMD {
135      virtual int getTopologicalDistance(int atom1, int atom2) = 0;
136  
137      // filling interaction blocks with pointers
138 <    virtual InteractionData fillInteractionData(int atom1, int atom2) = 0;
139 <    virtual void unpackInteractionData(InteractionData idat, int atom1, int atom2) = 0;
140 <    virtual InteractionData fillSkipData(int atom1, int atom2) = 0;
141 <    virtual SelfData fillSelfData(int atom1);
138 >    virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0;
139 >    virtual void unpackInteractionData(InteractionData &idat, int atom1, int atom2) = 0;
140 >    virtual void fillSkipData(InteractionData &idat, int atom1, int atom2) = 0;
141 >    virtual void fillSelfData(SelfData &sdat, int atom1);
142      
143    protected:
144      SimInfo* info_;  
# Line 160 | Line 160 | namespace OpenMD {
160       * method to fill these.
161       */
162      vector<vector<int> > toposForAtom;
163 <    vector<vector<int> > topoDist;
164 <                                      
163 >    vector<vector<int> > topoDist;                                      
164      vector<vector<int> > skipsForAtom;
166 –
165      vector<vector<int> > groupList_;
166 +    vector<RealType> massFactors;
167  
168      vector<Vector3i> cellOffsets_;
169      Vector3i nCells_;

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