/* ---------------------------------------------------------------------- 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 COMMAND_CLASS CommandStyle(write_restart,WriteRestart) #else #ifndef LMP_WRITE_RESTART_H #define LMP_WRITE_RESTART_H #include "stdio.h" #include "pointers.h" namespace LAMMPS_NS { class WriteRestart : protected Pointers { public: WriteRestart(class LAMMPS *); void command(int, char **); void write(char *); private: int me,nprocs; FILE *fp; bigint natoms; // natoms (sum of nlocal) to write into file void header(); void type_arrays(); void force_fields(); void write_int(int, int); void write_double(int, double); void write_char(int, char *); void write_bigint(int, bigint); }; } #endif #endif /* ERROR/WARNING messages: E: Write_restart command before simulation box is defined The write_restart command cannot be used before a read_data, read_restart, or create_box command. 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: Atom count is inconsistent, cannot write restart file Sum of atoms across processors does not equal initial total count. This is probably because you have lost some atoms. E: Cannot open restart file %s Self-explanatory. */