/* -*- c++ -*- ----------------------------------------------------------
   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
   https://www.lammps.org/, 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
// clang-format off
FixStyle(wall/region/ees,FixWallRegionEES);
// clang-format on
#else

#ifndef LMP_FIX_WALL_REGION_EES_H
#define LMP_FIX_WALL_REGION_EES_H

#include "fix.h"

namespace LAMMPS_NS {

class FixWallRegionEES : public Fix {
 public:
  FixWallRegionEES(class LAMMPS *, int, char **);
  ~FixWallRegionEES();
  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:
  class AtomVecEllipsoid *avec;

  int iregion;
  double epsilon, sigma, cutoff;
  int eflag;
  double ewall[4], ewall_all[4];
  int nlevels_respa;
  char *idregion;

  double coeff1, coeff2, coeff3, coeff4, offset;
  double coeff5, coeff6;
  double eng, fwall;
  double torque[3];

  void ees(int, int);
};

}    // namespace LAMMPS_NS

#endif
#endif

/* ERROR/WARNING messages:

E: Illegal ... command

Self-explanatory.  Check the input script syntax and compare to the
documentation for the command.  You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.

E: Region ID for fix wall/region/ees does not exist

Self-explanatory.

E: Fix wall/region/ees cutoff <= 0.0

Self-explanatory.

E: Fix wall/region/ees colloid requires atom style sphere

Self-explanatory.

E: Fix wall/region/ees colloid requires extended particles

One of the particles has radius 0.0.

E: Particle on or inside surface of region used in fix wall/region

Particles must be "exterior" to the region surface in order for
energy/force to be calculated.

*/
