--- trunk/src/parallel/ForceMatrixDecomposition.hpp 2013/06/19 14:14:56 1892 +++ trunk/src/parallel/ForceMatrixDecomposition.hpp 2013/06/19 17:19:07 1893 @@ -71,29 +71,29 @@ namespace OpenMD { // group bookkeeping groupCutoffs getGroupCutoffs(int cg1, int cg2); - Vector3d getGroupVelocityColumn(int cg2); + Vector3d& getGroupVelocityColumn(int cg2); // Group->atom bookkeeping - vector getAtomsInGroupRow(int cg1); - vector getAtomsInGroupColumn(int cg2); + vector& getAtomsInGroupRow(int cg1); + vector& getAtomsInGroupColumn(int cg2); Vector3d getAtomToGroupVectorRow(int atom1, int cg1); Vector3d getAtomToGroupVectorColumn(int atom2, int cg2); - RealType getMassFactorRow(int atom1); - RealType getMassFactorColumn(int atom2); + RealType& getMassFactorRow(int atom1); + RealType& getMassFactorColumn(int atom2); // spatial data Vector3d getIntergroupVector(int cg1, int cg2); Vector3d getInteratomicVector(int atom1, int atom2); // atom bookkeeping - int getNAtomsInRow(); + int& getNAtomsInRow(); int getTopologicalDistance(int atom1, int atom2); - vector getExcludesForAtom(int atom1); + vector& getExcludesForAtom(int atom1); bool skipAtomPair(int atom1, int atom2, int cg1, int cg2); bool excludeAtomPair(int atom1, int atom2); void addForceToAtomRow(int atom1, Vector3d fg); void addForceToAtomColumn(int atom2, Vector3d fg); - Vector3d getAtomVelocityColumn(int atom2); + Vector3d& getAtomVelocityColumn(int atom2); // filling interaction blocks with pointers void fillInteractionData(InteractionData &idat, int atom1, int atom2);