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root/OpenMD/trunk/src/parallel/ForceMatrixDecomposition.hpp
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Comparing branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 2012 UTC

# Line 70 | Line 70 | namespace OpenMD {
70  
71      // group bookkeeping
72      groupCutoffs getGroupCutoffs(int cg1, int cg2);
73 +    Vector3d getGroupVelocityColumn(int cg2);
74  
75      // Group->atom bookkeeping
76      vector<int> getAtomsInGroupRow(int cg1);
# Line 91 | Line 92 | namespace OpenMD {
92      bool excludeAtomPair(int atom1, int atom2);
93      void addForceToAtomRow(int atom1, Vector3d fg);
94      void addForceToAtomColumn(int atom2, Vector3d fg);
95 +    Vector3d getAtomVelocityColumn(int atom2);
96  
97      // filling interaction blocks with pointers
98      void fillInteractionData(InteractionData &idat, int atom1, int atom2);
# Line 107 | Line 109 | namespace OpenMD {
109      vector<int> groupToGtype;
110  
111   #ifdef IS_MPI    
112 <    DataStorage atomRowData;
111 <    DataStorage atomColData;
112 >    DataStorage atomRowData;    DataStorage atomColData;
113      DataStorage cgRowData;
114      DataStorage cgColData;
115  

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