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 1569 by gezelter, Thu May 26 13:55:04 2011 UTC vs.
Revision 1575 by gezelter, Fri Jun 3 21:39:49 2011 UTC

# Line 91 | Line 91 | namespace OpenMD {
91      
92      virtual void distributeInitialData() = 0;
93      virtual void distributeData() = 0;
94 +    virtual void zeroWorkArrays() = 0;
95      virtual void collectIntermediateData() = 0;
96      virtual void distributeIntermediateData() = 0;
97      virtual void collectData() = 0;
98 +    virtual potVec getLongRangePotential() { return longRangePot_; }
99  
100      // neighbor list routines
101      virtual bool checkNeighborList();
# Line 116 | Line 118 | namespace OpenMD {
118      virtual Vector3d getInteratomicVector(int atom1, int atom2) = 0;
119        
120      // atom bookkeeping
121 <    virtual vector<int> getAtomList() = 0;
122 <    virtual vector<int> getSkipsForAtom(int atom1) = 0;
121 >    virtual int getNAtomsInRow() = 0;
122 >    virtual vector<int> getSkipsForRowAtom(int atom1) = 0;
123      virtual bool skipAtomPair(int atom1, int atom2) = 0;
124      virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0;
125      virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0;
126  
127      // filling interaction blocks with pointers
128      virtual InteractionData fillInteractionData(int atom1, int atom2) = 0;
129 +    virtual void unpackInteractionData(InteractionData idat, int atom1, int atom2) = 0;
130      virtual InteractionData fillSkipData(int atom1, int atom2) = 0;
131      virtual SelfData fillSelfData(int atom1);
132      
# Line 131 | Line 134 | namespace OpenMD {
134      SimInfo* info_;  
135      SnapshotManager* sman_;    
136      Snapshot* snap_;
137 +    ForceField* ff_;
138      int storageLayout_;
139      RealType skinThickness_;   /**< Verlet neighbor list skin thickness */    
140  
# Line 160 | Line 164 | namespace OpenMD {
164      Vector3i nCells_;
165      vector<vector<int> > cellList_;
166      vector<Vector3d> saved_CG_positions_;
167 +    potVec longRangePot_;
168  
169    };    
170   }

Diff Legend

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