manifold_torus.cpp
889fda57feealammm-master-deprecated

manifold_torus.cpp
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			#include "manifold_torus.h"
			#include <math.h>

			using namespace LAMMPS_NS;

			manifold_torus::manifold_torus( LAMMPS lmp, int argc, char *argv ) : Pointers(lmp)
			{}


			double manifold_torus::g( const double *x )
			{
			double R = params[0];
			double r = params[1];
			if( R < r ){
			error->all(FLERR,"Large radius < small radius!");
			}

			double rad = sqrt(x[0]x[0] + x[1]x[1]);
			double c = R - rad;
			return cc + x[2]x[2] - r*r;
			}

			void manifold_torus::n( const double x, double n )
			{
			double R = params[0];
			double r = params[1];
			if( R < r ){
			error->all(FLERR,"Large radius < small radius!");
			}

			double rad = sqrt(x[0]x[0] + x[1]x[1]);
			double c = R - rad;
			double fac = c / rad;
			n[0] = -2.0 * fac * x[0];
			n[1] = -2.0 * fac * x[1];
			n[2] = 2.0 * x[2];
			}