kohenthreeparticleforce.h

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#ifndef KOHENTHREEPARTICLEFORCE_H
#define KOHENTHREEPARTICLEFORCE_H

#include "force/threeparticleforce.h"

class KohenThreeParticleForce : public ThreeParticleForce
{
public:
    KohenThreeParticleForce();

    virtual void calculateAndApplyForce(Atom *atom1, Atom *atom2, Atom *atom3, const Vector3 &atom2Offset, const Vector3 &atom3Offset);
    virtual void calculateAndApplyForce(Atom *atom1, Atom *atom2, Atom *atom3);
private:
    Vector3 rij;
    Vector3 rik;
    double force(double Bijk, double drij, double dfdrij, double drik, double dfdrik, double p, double f, double dtheta, double dpdtheta);
};

#endif // KOHENTHREEPARTICLEFORCE_H