[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/EAM.hpp

Comparing branches/development/src/nonbonded/EAM.hpp (file contents):
Revision 1544 by gezelter, Wed Jan 5 14:49:05 2011 UTC vs.
Revision 1545 by gezelter, Fri Apr 8 21:25:19 2011 UTC

#	Line 75 \| Line 75 \| namespace OpenMD {
75		void setForceField(ForceField *ff) {forceField_ = ff;};
76		void addType(AtomType* atomType);
77		void addExplicitInteraction(AtomType* atype1, AtomType* atype2, RealType dr, int nr, std::vector<RealType> phiAB);
78	<	void calcDensity(DensityData &ddat);
79	<	void calcFunctional(FunctionalData &fdat);
78	>	void calcDensity(InteractionData &idat);
79	>	void calcFunctional(SelfData &sdat);
80		void calcForce(InteractionData &idat);
81		virtual string getName() { return name_; }
82	<	virtual RealType getSuggestedCutoffRadius(AtomType* at1, AtomType* at2);
82	>	virtual RealType getSuggestedCutoffRadius(pair<AtomType,AtomType> atypes);
83
84		private:
85		void initialize();

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