--- branches/development/src/parallel/ForceDecomposition.hpp 2011/06/10 19:10:48 1580 +++ branches/development/src/parallel/ForceDecomposition.hpp 2011/06/13 22:13:12 1581 @@ -135,10 +135,10 @@ namespace OpenMD { virtual int getTopologicalDistance(int atom1, int atom2) = 0; // filling interaction blocks with pointers - virtual InteractionData fillInteractionData(int atom1, int atom2) = 0; + virtual void fillInteractionData(InteractionData idat, int atom1, int atom2) = 0; virtual void unpackInteractionData(InteractionData idat, int atom1, int atom2) = 0; - virtual InteractionData fillSkipData(int atom1, int atom2) = 0; - virtual SelfData fillSelfData(int atom1); + virtual void fillSkipData(InteractionData idat, int atom1, int atom2) = 0; + virtual void fillSelfData(SelfData sdat, int atom1); protected: SimInfo* info_; @@ -160,11 +160,10 @@ namespace OpenMD { * method to fill these. */ vector > toposForAtom; - vector > topoDist; - + vector > topoDist; vector > skipsForAtom; - vector > groupList_; + vector massFactors; vector cellOffsets_; Vector3i nCells_;