ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/parallel/ForceDecomposition.hpp
(Generate patch)

Comparing branches/development/src/parallel/ForceDecomposition.hpp (file contents):
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC vs.
Revision 1583 by gezelter, Thu Jun 16 22:00:08 2011 UTC

# Line 100 | Line 100 | namespace OpenMD {
100      virtual void collectIntermediateData() = 0;
101      virtual void distributeIntermediateData() = 0;
102      virtual void collectData() = 0;
103 <    virtual potVec getLongRangePotential() { return longRangePot_; }
103 >    virtual potVec* getEmbeddingPotential() { return &embeddingPot; }
104 >    virtual potVec* getPairwisePotential() { return &pairwisePot; }
105  
106      // neighbor list routines
107      virtual bool checkNeighborList();
# Line 137 | Line 138 | namespace OpenMD {
138      // filling interaction blocks with pointers
139      virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0;
140      virtual void unpackInteractionData(InteractionData &idat, int atom1, int atom2) = 0;
141 +
142      virtual void fillSkipData(InteractionData &idat, int atom1, int atom2) = 0;
143 +    virtual void unpackSkipData(InteractionData &idat, int atom1, int atom2) = 0;
144      virtual void fillSelfData(SelfData &sdat, int atom1);
145      
146    protected:
# Line 151 | Line 154 | namespace OpenMD {
154      RealType skinThickness_;   /**< Verlet neighbor list skin thickness */    
155      RealType largestRcut_;
156  
157 +    vector<int> idents;
158 +    potVec pairwisePot;
159 +    potVec embeddingPot;
160 +
161      /**
162       * The topological distance between two atomic sites is handled
163       * via two vector structures for speed.  These structures agnostic
# Line 169 | Line 176 | namespace OpenMD {
176      Vector3i nCells_;
177      vector<vector<int> > cellList_;
178      vector<Vector3d> saved_CG_positions_;
172 –    potVec longRangePot_;
179  
180      bool userChoseCutoff_;
181      RealType userCutoff_;

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines