--- branches/development/src/parallel/ForceDecomposition.hpp 2011/06/16 22:00:08 1583 +++ branches/development/src/parallel/ForceDecomposition.hpp 2011/07/08 20:25:32 1587 @@ -129,18 +129,18 @@ namespace OpenMD { // atom bookkeeping virtual int getNAtomsInRow() = 0; - virtual vector getSkipsForAtom(int atom1) = 0; + virtual vector getExcludesForAtom(int atom1) = 0; virtual bool skipAtomPair(int atom1, int atom2) = 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; virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0; - virtual int getTopologicalDistance(int atom1, int atom2) = 0; + // filling interaction blocks with pointers virtual void fillInteractionData(InteractionData &idat, int atom1, int atom2) = 0; virtual void unpackInteractionData(InteractionData &idat, int atom1, int atom2) = 0; - virtual void fillSkipData(InteractionData &idat, int atom1, int atom2) = 0; - virtual void unpackSkipData(InteractionData &idat, int atom1, int atom2) = 0; virtual void fillSelfData(SelfData &sdat, int atom1); protected: @@ -168,7 +168,7 @@ namespace OpenMD { */ vector > toposForAtom; vector > topoDist; - vector > skipsForAtom; + vector > excludesForAtom; vector > groupList_; vector massFactors;