manifold_dumbbell.cpp
775e8f3cc8f5lammm-master-deprecated

manifold_dumbbell.cpp
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			#include "manifold_dumbbell.h"

			#include <math.h>

			using namespace LAMMPS_NS;

			using namespace user_manifold;

			manifold_dumbbell::manifold_dumbbell( LAMMPS lmp, int argc, char *argv ) : manifold(lmp)
			{}


			/*
			* Equation for dumbbell is:
			*
			* -x^2 - y^2 + (a^2 - (z/c)^2)( 1 + Asin(const(z) *z^2) )^4
			* const(z) = (z < 0) ? B2 : B
			* params[4] = { a, A, B, c }
			*/


			double manifold_dumbbell::g( const double *x )
			{
			double a = params[0];
			double A = params[1];
			double B = params[2];
			double c = params[3];
			return -1.0(x[0]x[0]+x[1]x[1])+(aa-x[2]x[2]/(cc))(1.0+pow(Asin(B x[2]x[2]),4));
			}

			void manifold_dumbbell::n( const double x, double nn )
			{
			double a = params[0];
			double A = params[1];
			double B = params[2];
			double c = params[3];
			nn[0] = -2.0*x[0];
			nn[1] = -2.0*x[1];
			nn[2] = 8.0AAAABx[2](aa-(x[2]x[2]/(cc)))cos(Bx[2]x[2])
			pow(sin(Bx[2]x[2]),3)-2x[2](1+pow(Asin(Bx[2]x[2]),4))/(cc);
			}