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manifold_dumbbell.cpp
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Fri, Jul 5, 23:42

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 + A*sin(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])+(a*a-x[2]*x[2]/(c*c))*(1.0+pow(A*sin(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] = 8.0*A*A*A*A*B*x[2]*(a*a-(x[2]*x[2]/(c*c)))*cos(B*x[2]*x[2]) *
pow(sin(B*x[2]*x[2]),3)-2*x[2]*(1+pow(A*sin(B*x[2]*x[2]),4))/(c*c);
}

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