--- branches/development/src/parallel/ForceMatrixDecomposition.hpp 2012/05/24 14:23:40 1722 +++ branches/development/src/parallel/ForceMatrixDecomposition.hpp 2012/05/24 20:59:54 1723 @@ -70,6 +70,7 @@ namespace OpenMD { // group bookkeeping groupCutoffs getGroupCutoffs(int cg1, int cg2); + Vector3d getGroupVelocityColumn(int cg2); // Group->atom bookkeeping vector getAtomsInGroupRow(int cg1); @@ -91,6 +92,7 @@ namespace OpenMD { bool excludeAtomPair(int atom1, int atom2); void addForceToAtomRow(int atom1, Vector3d fg); void addForceToAtomColumn(int atom2, Vector3d fg); + Vector3d getAtomVelocityColumn(int atom2); // filling interaction blocks with pointers void fillInteractionData(InteractionData &idat, int atom1, int atom2); @@ -107,8 +109,7 @@ namespace OpenMD { vector groupToGtype; #ifdef IS_MPI - DataStorage atomRowData; - DataStorage atomColData; + DataStorage atomRowData; DataStorage atomColData; DataStorage cgRowData; DataStorage cgColData;