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// Copyright 2005-2007 Nanorex, Inc. See LICENSE file for details.
#ifndef POTENTIAL_H_INCLUDED
#define POTENTIAL_H_INCLUDED
#define RCSID_POTENTIAL_H "$Id$"
extern double stretchPotential(struct part *p, struct stretch *stretch, struct bondStretch *stretchType, double rSquared);
extern double stretchGradient(struct part *p, struct stretch *stretch, struct bondStretch *stretchType, double rSquared);
extern double vanDerWaalsPotential(struct part *p, struct vanDerWaals *vdw, struct vanDerWaalsParameters *parameters, double rSquared);
extern double vanDerWaalsGradient(struct part *p, struct vanDerWaals *vdw, struct vanDerWaalsParameters *parameters, double rSquared);
extern double electrostaticPotential(struct part *p, struct electrostatic *es, struct electrostaticParameters *parameters, double r);
extern double electrostaticGradient(struct part *p, struct electrostatic *es, struct electrostaticParameters *parameters, double r);
extern double calculatePotential(struct part *p, struct xyz *position);
extern void calculateGradient(struct part *p, struct xyz *position, struct xyz *force);
#endif
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