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root/OpenMD/branches/development/src/nonbonded/SC.hpp
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Comparing branches/development/src/nonbonded/SC.hpp (file contents):
Revision 1505 by gezelter, Sun Oct 3 22:18:59 2010 UTC vs.
Revision 1545 by gezelter, Fri Apr 8 21:25:19 2011 UTC

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

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