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

Comparing branches/development/src/parallel/ForceDecomposition.hpp (file contents):
Revision 1755 by gezelter, Thu May 24 20:59:54 2012 UTC vs.
Revision 1756 by gezelter, Mon Jun 18 18:23:20 2012 UTC

#	Line 101 \| Line 101 \| namespace OpenMD {
101		virtual void collectIntermediateData() = 0;
102		virtual void distributeIntermediateData() = 0;
103		virtual void collectData() = 0;
104	+	virtual void collectSelfData() = 0;
105		virtual potVec* getEmbeddingPotential() { return &embeddingPot; }
106		virtual potVec* getPairwisePotential() { return &pairwisePot; }
107
#	Line 132 \| Line 133 \| namespace OpenMD {
133		// atom bookkeeping
134		virtual int getNAtomsInRow() = 0;
135		virtual vector<int> getExcludesForAtom(int atom1) = 0;
136	<	virtual bool skipAtomPair(int atom1, int atom2) = 0;
136	>	virtual bool skipAtomPair(int atom1, int atom2, int cg1, int cg2) = 0;
137		virtual bool excludeAtomPair(int atom1, int atom2) = 0;
138		virtual int getTopologicalDistance(int atom1, int atom2) = 0;
139		virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0;

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