lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
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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