pair_zero2.h

/* -*- 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.

   Pair zero is a dummy pair interaction useful for requiring a
   force cutoff distance in the absence of pair-interactions or
   with hybrid/overlay if a larger force cutoff distance is required.

   This can be used in conjunction with bond/create to create bonds
   that are longer than the cutoff of a given force field, or to
   calculate radial distribution functions for models without
   pair interactions.

------------------------------------------------------------------------- */

#ifndef LMP_PAIR_ZERO2_H
#define LMP_PAIR_ZERO2_H

#include "pair.h"

namespace LAMMPS_NS {

class PairZero2 : public Pair {
 public:
  PairZero2(class LAMMPS *);
  virtual ~PairZero2();
  virtual void compute(int, int);
  virtual void compute_outer(int, int);
  void settings(int, char **);
  void coeff(int, char **);
  double init_one(int, int);
  void write_restart(FILE *);
  void read_restart(FILE *);
  void write_restart_settings(FILE *);
  void read_restart_settings(FILE *);
  void write_data(FILE *);
  void write_data_all(FILE *);
  double single(int, int, int, int, double, double, double, double &);

 protected:
  double cut_global;
  double **cut;
  int coeffflag;

  virtual void allocate();
};

}    // namespace LAMMPS_NS

#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.

U: Pair cutoff < Respa interior cutoff

One or more pairwise cutoffs are too short to use with the specified
rRESPA cutoffs.

*/