text: /* -*- c++ -*- ----------------------------------------------------------
     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 PAIR_CLASS
  
  PairStyle(mm3/switch3/coulgauss/long,PairMM3Switch3CoulGaussLong)
  
  #else
  
  #ifndef LMP_PAIR_MM3_SWITCH3_COULGAUSS_LONG_H
  #define LMP_PAIR_MM3_SWITCH3_COULGAUSS_LONG_H
  
  #include "pair.h"
  
  namespace LAMMPS_NS {
  
  class PairMM3Switch3CoulGaussLong : public Pair {
  
   public:
    PairMM3Switch3CoulGaussLong(class LAMMPS *);
    virtual ~PairMM3Switch3CoulGaussLong();
    virtual void compute(int, int);
    virtual void settings(int, char **);
    void coeff(int, char **);
    virtual void init_style();
    virtual 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 *);
    void write_data(FILE *);
    void write_data_all(FILE *);
    virtual double single(int, int, int, int, double, double, double, double &);
  
    virtual void *extract(const char *, int &);
  
   protected:
    double cut_lj_global;
    double truncw, truncwi;
    double **cut_lj,**cut_ljsq;
    double cut_coul,cut_coulsq;
    double **epsilon,**sigma,**gamma;
    double **lj1,**lj2,**lj3,**lj4,**offset;
    double *cut_respa;
    double qdist;             // TIP4P distance from O site to negative charge
    double g_ewald;
  
    virtual 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 style mm3/switch3/coulgauss/long requires atom attribute q
  
  The atom style defined does not have this attribute.
  
  E: Pair style requires a KSpace style
  
  No kspace style is defined.
  
  E: Pair cutoff < Respa interior cutoff
  
  One or more pairwise cutoffs are too short to use with the specified
  rRESPA cutoffs.
  
  */
  