manifold_sphere.h
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	#ifndef LMP_MANIFOLD_SPHERE_H
	#define LMP_MANIFOLD_SPHERE_H

	#include "manifold.h"

	namespace LAMMPS_NS {

	namespace user_manifold {


	// A sphere:
	class manifold_sphere : public manifold {
	public:
	enum { NPARAMS = 1 };
	manifold_sphere( LAMMPS lmp, int, char * ) : manifold(lmp){}

	virtual ~manifold_sphere(){}
	virtual double g( const double *x )
	{
	double R = params[0];
	double r2 = x[0]x[0] + x[1]x[1] + x[2]*x[2];
	return r2 - R*R;
	}

	virtual double g_and_n( const double x, double nn )
	{
	double R = params[0];
	double r2 = x[0]x[0] + x[1]x[1] + x[2]*x[2];
	nn[0] = 2*x[0];
	nn[1] = 2*x[1];
	nn[2] = 2*x[2];

	return r2 - R*R;
	}

	virtual void n( const double x, double nn )
	{
	nn[0] = 2*x[0];
	nn[1] = 2*x[1];
	nn[2] = 2*x[2];
	}

	virtual void H( double *x, double h[3][3] )
	{
	h[0][1] = h[0][2] = h[1][0] = h[1][2] = h[2][0] = h[2][1] = 0.0;
	h[0][0] = h[1][1] = h[2][2] = 2.0;
	}

	static const char* type(){ return "sphere"; }
	virtual const char *id(){ return type(); }
	static int expected_argc(){ return NPARAMS; }
	virtual int nparams(){ return NPARAMS; }
	};
	}

	}


	#endif // LMP_MANIFOLD_SPHERE_H