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

Comparing:
branches/development/src/parallel/ForceDecomposition.hpp (file contents), Revision 1756 by gezelter, Mon Jun 18 18:23:20 2012 UTC vs.
trunk/src/parallel/ForceDecomposition.hpp (file contents), Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 84 \| Line 84 \| namespace OpenMD {
84		* \| endif
85		* end
86		* collectData (parallel communication)
87	+	* loop over i
88	+	* \| localComputation
89	+	* end
90	+	* collectSelfData (parallel communication)
91		*
92		* ForceDecomposition provides the interface for ForceLoop to do the
93		* communication steps and to iterate using the correct set of atoms
#	Line 104 \| Line 108 \| namespace OpenMD {
108		virtual void collectSelfData() = 0;
109		virtual potVec* getEmbeddingPotential() { return &embeddingPot; }
110		virtual potVec* getPairwisePotential() { return &pairwisePot; }
111	+	virtual potVec* getExcludedPotential() { return &excludedPot; }
112	+	virtual potVec* getExcludedSelfPotential() { return &excludedSelfPot; }
113
114		// neighbor list routines
115		virtual bool checkNeighborList();
#	Line 164 \| Line 170 \| namespace OpenMD {
170		vector<int> idents;
171		potVec pairwisePot;
172		potVec embeddingPot;
173	+	potVec excludedPot;
174	+	potVec excludedSelfPot;
175
176		/**
177		* The topological distance between two atomic sites is handled

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