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

Comparing branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1568 by gezelter, Wed May 25 16:20:37 2011 UTC vs.
Revision 1569 by gezelter, Thu May 26 13:55:04 2011 UTC

#	Line 74 \| Line 74 \| namespace OpenMD {
74		vector<int> getAtomsInGroupColumn(int cg2);
75		Vector3d getAtomToGroupVectorRow(int atom1, int cg1);
76		Vector3d getAtomToGroupVectorColumn(int atom2, int cg2);
77	<	RealType getMfactRow(int atom1);
78	<	RealType getMfactColumn(int atom2);
77	>	RealType getMassFactorRow(int atom1);
78	>	RealType getMassFactorColumn(int atom2);
79
80		// spatial data
81		Vector3d getIntergroupVector(int cg1, int cg2);
#	Line 95 \| Line 95 \| namespace OpenMD {
95		private:
96		int nLocal_;
97		int nGroups_;
98	+	vector<int> AtomLocalToGlobal;
99	+	vector<int> cgLocalToGlobal;
100	+	vector<RealType> pot_local;
101	+	vector<RealType> massFactorsLocal;
102
103		#ifdef IS_MPI
104		DataStorage atomRowData;
#	Line 124 \| Line 128 \| namespace OpenMD {
128
129		vector<vector<RealType> > pot_row;
130		vector<vector<RealType> > pot_col;
131	+
132		vector<int> identsRow;
133		vector<int> identsCol;
134
130	–	vector<int> AtomLocalToGlobal;
135		vector<int> AtomRowToGlobal;
136		vector<int> AtomColToGlobal;
137	<	vector<int> cgLocalToGlobal;
137	>
138		vector<int> cgRowToGlobal;
139		vector<int> cgColToGlobal;
140
141		vector<vector<int> > cellListRow_;
142		vector<vector<int> > cellListCol_;
143	+
144	+	vector<vector<int> > groupListRow_;
145	+	vector<vector<int> > groupListCol_;
146	+
147	+	vector<RealType> massFactorsRow;
148	+	vector<RealType> massFactorsCol;
149	+
150		#endif
140	–	vector<RealType> pot_local;
151
152		};
153

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