--- branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/05/26 13:55:04 1569 +++ branches/development/src/parallel/ForceMatrixDecomposition.hpp 2011/05/26 21:56:04 1570 @@ -82,8 +82,9 @@ namespace OpenMD { Vector3d getInteratomicVector(int atom1, int atom2); // atom bookkeeping - vector getAtomList(); - vector getSkipsForAtom(int atom1); + int getNAtomsInRow(); + vector getSkipsForRowAtom(int atom1); + int getTopoDistance(int atom1, int atom2); bool skipAtomPair(int atom1, int atom2); void addForceToAtomRow(int atom1, Vector3d fg); void addForceToAtomColumn(int atom2, Vector3d fg); @@ -99,6 +100,9 @@ namespace OpenMD { vector cgLocalToGlobal; vector pot_local; vector massFactorsLocal; + vector > skipsForLocalAtom; + vector > toposForLocalAtom; + vector > topoDistLocal; #ifdef IS_MPI DataStorage atomRowData; @@ -147,6 +151,11 @@ namespace OpenMD { vector massFactorsRow; vector massFactorsCol; + vector > skipsForRowAtom; + vector > toposForRowAtom; + vector > topoDistRow; + + #endif };