/* -*- 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(plat,PairPlat) #else #ifndef LMP_PAIR_PLAT_H #define LMP_PAIR_PLAT_H #include "pair.h" namespace LAMMPS_NS { class PairPlat : public Pair { public: PairPlat(class LAMMPS *); virtual ~PairPlat(); virtual void compute(int, int); virtual void settings(int, char **); virtual void coeff(int, char **); void init_style(); double init_one(int, int); virtual void write_restart(FILE *); virtual void read_restart(FILE *); virtual void write_restart_settings(FILE *); virtual void read_restart_settings(FILE *); virtual void write_data(FILE *); virtual void write_data_all(FILE *); double single(int, int, int, int, double, double, double &); protected: double cut_global,temperature; int seed; double **cut; double **coeff; int **acflag; int **sptime; 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 comm_modify vel yes command to enable this. W: Pair dpd needs newton pair on for momentum conservation Self-explanatory. 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. */