/* ---------------------------------------------------------------------- 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 DUMP_CLASS DumpStyle(atom,DumpAtom) #else #ifndef LMP_DUMP_ATOM_H #define LMP_DUMP_ATOM_H #include "dump.h" namespace LAMMPS_NS { class DumpAtom : public Dump { public: DumpAtom(LAMMPS *, int, char**); private: int scale_flag; // 1 if atom coords are scaled, 0 if no int image_flag; // 1 if append box count to atom coords, 0 if no char *columns; // column labels void init_style(); int modify_param(int, char **); void write_header(bigint); void pack(int *); int convert_string(int, double *); void write_data(int, double *); typedef void (DumpAtom::*FnPtrHeader)(bigint); FnPtrHeader header_choice; // ptr to write header functions void header_binary(bigint); void header_binary_triclinic(bigint); void header_item(bigint); void header_item_triclinic(bigint); typedef void (DumpAtom::*FnPtrPack)(int *); FnPtrPack pack_choice; // ptr to pack functions void pack_scale_image(int *); void pack_scale_noimage(int *); void pack_noscale_image(int *); void pack_noscale_noimage(int *); void pack_scale_image_triclinic(int *); void pack_scale_noimage_triclinic(int *); typedef int (DumpAtom::*FnPtrConvert)(int, double *); FnPtrConvert convert_choice; // ptr to convert data functions int convert_image(int, double *); int convert_noimage(int, double *); typedef void (DumpAtom::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions void write_binary(int, double *); void write_string(int, double *); void write_lines_image(int, double *); void write_lines_noimage(int, double *); }; } #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. */