[ViewVC] Diff of: OpenMD/trunk/src/parallel/ForceMatrixDecomposition.cpp

Comparing branches/development/src/parallel/ForceMatrixDecomposition.cpp (file contents):
Revision 1581 by gezelter, Mon Jun 13 22:13:12 2011 UTC vs.
Revision 1582 by gezelter, Tue Jun 14 20:41:44 2011 UTC

#	Line 776 \| Line 776 \| namespace OpenMD {
776		}
777
778		// filling interaction blocks with pointers
779	<	void ForceMatrixDecomposition::fillInteractionData(InteractionData idat,
779	>	void ForceMatrixDecomposition::fillInteractionData(InteractionData &idat,
780		int atom1, int atom2) {
781		#ifdef IS_MPI
782
#	Line 862 \| Line 862 \| namespace OpenMD {
862		}
863
864
865	<	void ForceMatrixDecomposition::unpackInteractionData(InteractionData idat, int atom1, int atom2) {
865	>	void ForceMatrixDecomposition::unpackInteractionData(InteractionData &idat, int atom1, int atom2) {
866		#ifdef IS_MPI
867		pot_row[atom1] += 0.5 * *(idat.pot);
868		pot_col[atom2] += 0.5 * *(idat.pot);
#	Line 879 \| Line 879 \| namespace OpenMD {
879		}
880
881
882	<	void ForceMatrixDecomposition::fillSkipData(InteractionData idat,
882	>	void ForceMatrixDecomposition::fillSkipData(InteractionData &idat,
883		int atom1, int atom2) {
884		#ifdef IS_MPI
885		idat.atypes = make_pair( ff_->getAtomType(identsRow[atom1]),
#	Line 943 \| Line 943 \| namespace OpenMD {
943		int cellIndex;
944		int nCtot = nCells_.x() * nCells_.y() * nCells_.z();
945
946	–	cerr << "flag1\n";
946		#ifdef IS_MPI
947		cellListRow_.resize(nCtot);
948		cellListCol_.resize(nCtot);
949		#else
950		cellList_.resize(nCtot);
951		#endif
952	<	cerr << "flag2\n";
952	>
953		#ifdef IS_MPI
954		for (int i = 0; i < nGroupsInRow_; i++) {
955		rs = cgRowData.position[i];

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