--- branches/development/src/parallel/ForceDecomposition.hpp 2012/06/14 01:58:35 1755 +++ branches/development/src/parallel/ForceDecomposition.hpp 2012/06/18 18:23:20 1756 @@ -101,6 +101,7 @@ namespace OpenMD { virtual void collectIntermediateData() = 0; virtual void distributeIntermediateData() = 0; virtual void collectData() = 0; + virtual void collectSelfData() = 0; virtual potVec* getEmbeddingPotential() { return &embeddingPot; } virtual potVec* getPairwisePotential() { return &pairwisePot; } @@ -132,7 +133,7 @@ namespace OpenMD { // atom bookkeeping virtual int getNAtomsInRow() = 0; virtual vector getExcludesForAtom(int atom1) = 0; - virtual bool skipAtomPair(int atom1, int atom2) = 0; + virtual bool skipAtomPair(int atom1, int atom2, int cg1, int cg2) = 0; virtual bool excludeAtomPair(int atom1, int atom2) = 0; virtual int getTopologicalDistance(int atom1, int atom2) = 0; virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0;