--- trunk/src/parallel/ForceMatrixDecomposition.hpp 2013/07/01 21:09:37 1895 +++ trunk/src/parallel/ForceMatrixDecomposition.hpp 2013/08/19 13:51:04 1930 @@ -70,7 +70,7 @@ namespace OpenMD { void buildNeighborList(vector >& neighborList); // group bookkeeping - groupCutoffs getGroupCutoffs(int cg1, int cg2); + void getGroupCutoffs(int &cg1, int &cg2, RealType &rcut, RealType &rcutsq, RealType &rlistsq); Vector3d& getGroupVelocityColumn(int cg2); // Group->atom bookkeeping @@ -110,7 +110,8 @@ namespace OpenMD { vector groupToGtype; #ifdef IS_MPI - DataStorage atomRowData; DataStorage atomColData; + DataStorage atomRowData; + DataStorage atomColData; DataStorage cgRowData; DataStorage cgColData; @@ -149,6 +150,9 @@ namespace OpenMD { vector identsRow; vector identsCol; + vector regionsRow; + vector regionsCol; + vector atypesRow; vector atypesCol; @@ -173,6 +177,9 @@ namespace OpenMD { vector massFactorsRow; vector massFactorsCol; + + vector regionRow; + vector regionCol; #endif };