/* -*- 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 *); ~PairZero2() override; void compute(int, int) override; void compute_outer(int, int) override; void settings(int, char **) override; void coeff(int, char **) override; double init_one(int, int) override; void write_restart(FILE *) override; void read_restart(FILE *) override; void write_restart_settings(FILE *) override; void read_restart_settings(FILE *) override; void write_data(FILE *) override; void write_data_all(FILE *) override; double single(int, int, int, int, double, double, double, double &) override; 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. */