--- branches/development/src/parallel/ForceDecomposition.hpp 2011/05/25 16:20:37 1568 +++ branches/development/src/parallel/ForceDecomposition.hpp 2011/05/26 13:55:04 1569 @@ -103,12 +103,13 @@ namespace OpenMD { virtual pair getGroupTypes(int cg1, int cg2) = 0; // Group->atom bookkeeping - virtual vector getAtomsInGroupRow(int cg1) = 0; + virtual vector getAtomsInGroupRow(int cg1) = 0; virtual vector getAtomsInGroupColumn(int cg2) = 0; + virtual Vector3d getAtomToGroupVectorRow(int atom1, int cg1) = 0; virtual Vector3d getAtomToGroupVectorColumn(int atom2, int cg2) = 0; - virtual RealType getMfactRow(int atom1) = 0; - virtual RealType getMfactColumn(int atom2) = 0; + virtual RealType getMassFactorRow(int atom1) = 0; + virtual RealType getMassFactorColumn(int atom2) = 0; // spatial data virtual Vector3d getIntergroupVector(int cg1, int cg2) = 0; @@ -153,6 +154,8 @@ namespace OpenMD { //& column. It will be up to //the specific decomposition //method to fill this. + + vector > groupList_; vector cellOffsets_; Vector3i nCells_; vector > cellList_;