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

Comparing branches/development/src/parallel/ForceDecomposition.hpp (file contents):
Revision 1568 by gezelter, Wed May 25 16:20:37 2011 UTC vs.
Revision 1570 by gezelter, Thu May 26 21:56:04 2011 UTC

#	Line 103 \| Line 103 \| namespace OpenMD {
103		virtual pair<int, int> getGroupTypes(int cg1, int cg2) = 0;
104
105		// Group->atom bookkeeping
106	<	virtual vector<int> getAtomsInGroupRow(int cg1) = 0;
106	>	virtual vector<int> getAtomsInGroupRow(int cg1) = 0;
107		virtual vector<int> getAtomsInGroupColumn(int cg2) = 0;
108	+
109		virtual Vector3d getAtomToGroupVectorRow(int atom1, int cg1) = 0;
110		virtual Vector3d getAtomToGroupVectorColumn(int atom2, int cg2) = 0;
111	<	virtual RealType getMfactRow(int atom1) = 0;
112	<	virtual RealType getMfactColumn(int atom2) = 0;
111	>	virtual RealType getMassFactorRow(int atom1) = 0;
112	>	virtual RealType getMassFactorColumn(int atom2) = 0;
113
114		// spatial data
115		virtual Vector3d getIntergroupVector(int cg1, int cg2) = 0;
116		virtual Vector3d getInteratomicVector(int atom1, int atom2) = 0;
117
118		// atom bookkeeping
119	<	virtual vector<int> getAtomList() = 0;
120	<	virtual vector<int> getSkipsForAtom(int atom1) = 0;
119	>	virtual int getNAtomsInRow() = 0;
120	>	virtual vector<int> getSkipsForRowAtom(int atom1) = 0;
121		virtual bool skipAtomPair(int atom1, int atom2) = 0;
122		virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0;
123		virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0;
#	Line 153 \| Line 154 \| namespace OpenMD {
154		//& column. It will be up to
155		//the specific decomposition
156		//method to fill this.
157	+
158	+	vector<vector<int> > groupList_;
159		vector<Vector3i> cellOffsets_;
160		Vector3i nCells_;
161		vector<vector<int> > cellList_;

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