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

Comparing trunk/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1893 by gezelter, Wed Jun 19 17:19:07 2013 UTC vs.
Revision 1930 by gezelter, Mon Aug 19 13:51:04 2013 UTC

#	Line 67 \| Line 67 \| namespace OpenMD {
67		void collectData();
68
69		// neighbor list routines
70	<	vector<pair<int, int> > buildNeighborList();
70	>	void buildNeighborList(vector<pair<int, int> >& neighborList);
71
72		// group bookkeeping
73	<	groupCutoffs getGroupCutoffs(int cg1, int cg2);
73	>	void getGroupCutoffs(int &cg1, int &cg2, RealType &rcut, RealType &rcutsq, RealType &rlistsq);
74		Vector3d& getGroupVelocityColumn(int cg2);
75
76		// Group->atom bookkeeping
#	Line 110 \| Line 110 \| namespace OpenMD {
110		vector<int> groupToGtype;
111
112		#ifdef IS_MPI
113	<	DataStorage atomRowData; DataStorage atomColData;
113	>	DataStorage atomRowData;
114	>	DataStorage atomColData;
115		DataStorage cgRowData;
116		DataStorage cgColData;
117
#	Line 149 \| Line 150 \| namespace OpenMD {
150		vector<int> identsRow;
151		vector<int> identsCol;
152
153	+	vector<int> regionsRow;
154	+	vector<int> regionsCol;
155	+
156		vector<AtomType*> atypesRow;
157		vector<AtomType*> atypesCol;
158
#	Line 173 \| Line 177 \| namespace OpenMD {
177
178		vector<RealType> massFactorsRow;
179		vector<RealType> massFactorsCol;
180	+
181	+	vector<int> regionRow;
182	+	vector<int> regionCol;
183		#endif
184
185		};

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