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root/OpenMD/branches/devel_omp/src/parallel/ForceDecomposition.hpp
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Comparing branches/devel_omp/src/parallel/ForceDecomposition.hpp (file contents):
Revision 1595 by chuckv, Tue Jul 19 18:50:04 2011 UTC vs.
Revision 1598 by mciznick, Wed Jul 27 14:26:53 2011 UTC

# Line 48 | Line 48
48   #include "nonbonded/Cutoffs.hpp"
49   #include "nonbonded/InteractionManager.hpp"
50   #include "utils/Tuple.hpp"
51 + #include "primitives/Molecule.hpp"
52  
53   using namespace std;
54   namespace OpenMD {
# Line 106 | Line 107 | namespace OpenMD {
107      // neighbor list routines
108      virtual bool checkNeighborList();
109      virtual vector<pair<int, int> >  buildNeighborList() = 0;
110 <    virtual vector<vector<int> >  buildLayerBasedNeighborList() = 0;
110 >    virtual vector<vector<CutoffGroup *> >  buildLayerBasedNeighborList() = 0;
111  
112      // how to handle cutoffs:
113      void setCutoffPolicy(CutoffPolicy cp) {cutoffPolicy_ = cp;}
# Line 126 | Line 127 | namespace OpenMD {
127  
128      // spatial data
129      virtual Vector3d getIntergroupVector(int cg1, int cg2) = 0;
130 +    virtual Vector3d getIntergroupVector(CutoffGroup *cg1, CutoffGroup *cg2) = 0;
131      virtual Vector3d getInteratomicVector(int atom1, int atom2) = 0;
132        
133      // atom bookkeeping

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