/* -*- 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 DUMP_CLASS DumpStyle(cfg,DumpCFG) #else #ifndef LMP_DUMP_CFG_H #define LMP_DUMP_CFG_H #include "dump_custom.h" namespace LAMMPS_NS { class DumpCFG : public DumpCustom { public: int multifile_override; // used by write_dump command DumpCFG(class LAMMPS *, int, char **); virtual ~DumpCFG(); protected: char **auxname; // name strings of auxiliary properties int unwrapflag; // 1 if unwrapped coordinates are requested void init_style(); virtual void write_header(bigint); int convert_string(int, double *); virtual void write_data(int, double *); typedef void (DumpCFG::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions void write_string(int, double *); void write_lines(int, double *); }; } #endif #endif /* ERROR/WARNING messages: E: Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu' This is a requirement of the CFG output format. See the dump cfg doc page for more details. E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu Self-explanatory. E: Dump cfg requires one snapshot per file Use the wildcard "*" character in the filename. U: Invalid keyword in dump cfg command Self-explanatory. */