manifold_supersphere.h
8bce407ab5e2lammm-master-deprecated

manifold_supersphere.h
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			#ifndef LMP_MANIFOLD_SUPERSPHERE_H
			#define LMP_MANIFOLD_SUPERSPHERE_H

			#include "manifold.h"

			namespace LAMMPS_NS {


			namespace user_manifold {

			// A sphere:
			class manifold_supersphere : public manifold {
			public:
			enum { NPARAMS = 2 };
			manifold_supersphere( LAMMPS lmp, int, char * ) : manifold(lmp){}

			virtual ~manifold_supersphere(){}

			double my_sign( double a )
			{
			return (a > 0) - (a < 0);
			}

			virtual double g( const double *x )
			{
			double R = params[0];
			double q = params[1];
			double xx = fabs(x[0]);
			double yy = fabs(x[1]);
			double zz = fabs(x[2]);

			double rr = pow(xx,q) + pow(yy,q) + pow(zz,q);

			return rr - pow(R,q);
			}

			virtual void n( const double x, double nn )
			{
			double q = params[1];
			double xx = fabs(x[0]);
			double yy = fabs(x[1]);
			double zz = fabs(x[2]);

			nn[0] = q * my_sign(x[0])*pow(xx,q-1);
			nn[1] = q * my_sign(x[1])*pow(yy,q-1);
			nn[2] = q * my_sign(x[2])*pow(zz,q-1);
			}

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

			}

			#endif