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manifold_torus.cpp
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Created
Mon, Jul 7, 13:15
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833 B
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text/x-c
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Wed, Jul 9, 13:15 (2 d)
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rLAMMPS lammps
manifold_torus.cpp
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#include <math.h>
#include "manifold_torus.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace user_manifold;
manifold_torus::manifold_torus( LAMMPS *lmp, int argc, char **argv ) : manifold(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 c*c + 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];
}
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