/* ----------------------------------------------------------------------
   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.
------------------------------------------------------------------------- */

/* ----------------------------------------------------------------------             
   Modified by Stephen Weitzner (Penn State).
                                                                                   
   Force calculations adapted to reflect gaussian well potential
   discussed in:                                                                    

    J. Magee & F. Siperstein. "Formation of Ordered Mesoporous Materials              
    Under Slow Aggregation Conditions", J. Phys. Chem. C 2009 113 (5),                
    1680-1685.                      
 ------------------------------------------------------------------------- */



#ifdef PAIR_CLASS

PairStyle(dpdmod,PairDPDmod)  // SW

#else

#ifndef LMP_PAIR_DPD_MOD_H // SW
#define LMP_PAIR_DPD_MOD_H // SW

#include "pair.h"

namespace LAMMPS_NS {

class PairDPDmod : public Pair {  // SW
 public:
  PairDPDmod(class LAMMPS *);    // SW
  virtual ~PairDPDmod();        // SW
  virtual void compute(int, int);
  virtual void settings(int, char **);
  virtual void coeff(int, char **);
  void init_style();
  double init_one(int, int);
  void write_restart(FILE *);
  void read_restart(FILE *);
  virtual void write_restart_settings(FILE *);
  virtual void read_restart_settings(FILE *);
  double single(int, int, int, int, double, double, double, double &);

 protected:
  double cut_global,temperature;
  int seed;
  double **cut;
  double **a0,**gamma;
  double **sigma;
  double **well_width;  // SW
  double **well_center; // SW
  double **well_depth;  // SW

  class RanMars *random;

  void allocate();
};

}

#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: Incorrect args for pair coefficients

Self-explanatory.  Check the input script or data file.

E: Pair dpd requires ghost atoms store velocity

Use the communicate vel yes command to enable this.

W: Pair dpd needs newton pair on for momentum conservation

UNDOCUMENTED

E: All pair coeffs are not set

All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.

*/