/* ----------------------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   http://lammps.sandia.gov, Sandia National Laboratories
   Steve Plimpton, sjplimp@sandia.gov

   Copyright (2003) Sandia Corporation.  Under the terms of Contract
   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
   certain rights in this software.  This software is distributed under 
   the GNU General Public License.

   See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */

#ifdef FIX_CLASS

FixStyle(wall/regiongb,FixWallRegionGB)

#else

#ifndef LMP_FIX_WALL_REGIONGB_H
#define LMP_FIX_WALL_REGIONGB_H

#include "fix.h"

namespace LAMMPS_NS {

	class FixWallRegionGB : public Fix {
	 public:
  		FixWallRegionGB(class LAMMPS *, int, char **);
		  ~FixWallRegionGB();
		  int setmask();
		  void init();
		  void setup(int);
 		 void min_setup(int);
		  void post_force(int);
		  void post_force_respa(int, int, int);
		  void min_post_force(int);
 		 double compute_scalar();
		  double compute_vector(int);

	 private:
		  int style,iregion;
		  /* Read variables */
// 		 double shapet;
//		  double shapew[3];
//		  double shapew2[3];
		  double shapei[3];
// 		 double eaw,ebw,ecw;
//		  double lshapew;
// 		 double wellw[3];
		  double welli[3];
		  double epsw;
 //		 double sigmaw;
		  /* Called variables  */
 		 double **well;
//		  double *lshape;
//		  double lshapei;
 		double gamma,sigma; 
		double upsilon,epsilon,cutoff,mu;  
// 		 double offset;
		  int eflag;
		  double ewall[7],ewall_all[7];
		  int nlevels_respa;
//		  double dt;
		  char *idregion;
  
 		 double eng;
 		 //double fwall;
 		 double fwall[3];
  		double torx,tory,torz;

  		void gbmixing(double a1[3][3],double b1[3][3],double g1[3][3],double r12[3],double r);
  		void compute_eta(double m[3][3], double m2[3][3],double *s, double ans[3][3]);
	
	 protected:
  		class AtomVecEllipsoid *avec;
	};

}

#endif
#endif