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 1549 by gezelter, Wed Apr 27 18:38:15 2011 UTC vs.
Revision 1568 by gezelter, Wed May 25 16:20:37 2011 UTC

# Line 43 | Line 43
43   #define PARALLEL_FORCEDECOMPOSITION_HPP
44  
45   #include "brains/SimInfo.hpp"
46 + #include "brains/SnapshotManager.hpp"
47   #include "nonbonded/NonBondedInteraction.hpp"
48  
49   using namespace std;
# Line 85 | Line 86 | namespace OpenMD {
86    class ForceDecomposition {
87    public:
88  
89 <    ForceDecomposition(SimInfo* info) : info_(info) {}
89 >    ForceDecomposition(SimInfo* info);
90      virtual ~ForceDecomposition() {}
91      
92      virtual void distributeInitialData() = 0;
# Line 95 | Line 96 | namespace OpenMD {
96      virtual void collectData() = 0;
97  
98      // neighbor list routines
99 <    virtual bool checkNeighborList() = 0;
99 >    virtual bool checkNeighborList();
100      virtual vector<pair<int, int> >  buildNeighborList() = 0;
101  
102      // group bookkeeping
# Line 123 | Line 124 | namespace OpenMD {
124      // filling interaction blocks with pointers
125      virtual InteractionData fillInteractionData(int atom1, int atom2) = 0;
126      virtual InteractionData fillSkipData(int atom1, int atom2) = 0;
127 <    virtual SelfData fillSelfData(int atom1) = 0;
127 >    virtual SelfData fillSelfData(int atom1);
128      
129    protected:
130      SimInfo* info_;  
131 +    SnapshotManager* sman_;    
132 +    Snapshot* snap_;
133 +    int storageLayout_;
134 +    RealType skinThickness_;   /**< Verlet neighbor list skin thickness */    
135 +
136      map<pair<int, int>, int> topoDist; //< topoDist gives the
137                                         //topological distance between
138                                         //two atomic sites.  This
# Line 147 | Line 153 | namespace OpenMD {
153                                         //& column.  It will be up to
154                                         //the specific decomposition
155                                         //method to fill this.
156 +    vector<Vector3i> cellOffsets_;
157 +    Vector3i nCells_;
158 +    vector<vector<int> > cellList_;
159 +    vector<Vector3d> saved_CG_positions_;
160 +
161    };    
162   }
163   #endif

Diff Legend

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