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manifold_sphere.h
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Mon, Jul 1, 21:42

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

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