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root/OpenMD/branches/development/src/nonbonded/LJ.hpp
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Comparing branches/development/src/nonbonded/LJ.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 66 | Line 66 | namespace OpenMD {
66      void addExplicitInteraction(AtomType* atype1, AtomType* atype2, RealType sigma, RealType epsilon);
67      RealType getSigma(AtomType* atomType);
68      RealType getEpsilon(AtomType* atomType);
69 <    virtual void calcForce(InteractionData idat);
69 >    virtual void calcForce(InteractionData &idat);
70      virtual string getName() {return name_;}
71 <    virtual RealType getSuggestedCutoffRadius(AtomType* at1, AtomType* at2);
71 >    virtual RealType getSuggestedCutoffRadius(pair<AtomType*, AtomType*> atypes);
72              
73    private:
74      void initialize();

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