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

Comparing branches/development/src/parallel/ForceMatrixDecomposition.hpp (file contents):
Revision 1579 by gezelter, Thu Jun 9 20:26:29 2011 UTC vs.
Revision 1587 by gezelter, Fri Jul 8 20:25:32 2011 UTC

#	Line 85 \| Line 85 \| namespace OpenMD {
85		// atom bookkeeping
86		int getNAtomsInRow();
87		int getTopologicalDistance(int atom1, int atom2);
88	<	vector<int> getSkipsForAtom(int atom1);
88	>	vector<int> getExcludesForAtom(int atom1);
89		bool skipAtomPair(int atom1, int atom2);
90	+	bool excludeAtomPair(int atom1, int atom2);
91		void addForceToAtomRow(int atom1, Vector3d fg);
92		void addForceToAtomColumn(int atom2, Vector3d fg);
93
94		// filling interaction blocks with pointers
95	<	InteractionData fillInteractionData(int atom1, int atom2);
96	<	void unpackInteractionData(InteractionData idat, int atom1, int atom2);
96	<	InteractionData fillSkipData(int atom1, int atom2);
95	>	void fillInteractionData(InteractionData &idat, int atom1, int atom2);
96	>	void unpackInteractionData(InteractionData &idat, int atom1, int atom2);
97
98		private:
99		void createGtypeCutoffMap();
100
101		int nLocal_;
102		int nGroups_;
103	–	vector<int> identsLocal;
103		vector<int> AtomLocalToGlobal;
104		vector<int> cgLocalToGlobal;
106	–	vector<RealType> massFactorsLocal;
105		vector<RealType> groupCutoff;
106		vector<int> groupToGtype;
107
#	Line 138 \| Line 136 \| namespace OpenMD {
136		// work arrays for assembling potential energy
137		vector<potVec> pot_row;
138		vector<potVec> pot_col;
141	–	potVec pot_local;
139
140		vector<int> identsRow;
141		vector<int> identsCol;

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