lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
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#ifndef LMP_MANIFOLD_SPHERE_H
#define LMP_MANIFOLD_SPHERE_H

#include "manifold.h"

namespace LAMMPS_NS {

namespace user_manifold {


  // A sphere:
  class manifold_sphere : public manifold {
   public:
    enum { NPARAMS = 1 };
    manifold_sphere( LAMMPS *lmp, int, char ** ) : manifold(lmp){}

    virtual ~manifold_sphere(){}
    virtual double g( const double *x )
    {
      double R = params[0];
      double r2 = x[0]*x[0] + x[1]*x[1] + x[2]*x[2];
      return r2 - R*R;
    }

    virtual double g_and_n( const double *x, double *nn )
    {
      double R = params[0];
      double r2 = x[0]*x[0] + x[1]*x[1] + x[2]*x[2];
      nn[0] = 2*x[0];
      nn[1] = 2*x[1];
      nn[2] = 2*x[2];

      return r2 - R*R;
    }

    virtual void   n( const double *x, double *nn )
    {
      nn[0] = 2*x[0];
      nn[1] = 2*x[1];
      nn[2] = 2*x[2];
    }

    virtual void   H( double * /*x*/, double h[3][3] )
    {
      h[0][1] = h[0][2] = h[1][0] = h[1][2] = h[2][0] = h[2][1] = 0.0;
      h[0][0] = h[1][1] = h[2][2] = 2.0;
    }

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

}


#endif // LMP_MANIFOLD_SPHERE_H