/* -*- 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(local,DumpLocal) #else #ifndef LMP_DUMP_LOCAL_H #define LMP_DUMP_LOCAL_H #include "dump.h" namespace LAMMPS_NS { class DumpLocal : public Dump { public: DumpLocal(LAMMPS *, int, char **); virtual ~DumpLocal(); private: int nevery; // dump frequency to check Fix against char *label; // string for dump file header int nmine; // # of lines I am dumping int *vtype; // type of each vector (INT, DOUBLE) char **vformat; // format string for each vector element char *columns; // column labels int nfield; // # of keywords listed by user int *field2index; // which compute,fix,variable calcs this field int *argindex; // index into compute,fix scalar_atom,vector_atom // 0 for scalar_atom, 1-N for vector_atom values int ncompute; // # of Compute objects used by dump char **id_compute; // their IDs class Compute **compute; // list of ptrs to the Compute objects int nfix; // # of Fix objects used by dump char **id_fix; // their IDs class Fix **fix; // list of ptrs to the Fix objects void init_style(); int modify_param(int, char **); void write_header(bigint); int count(); void pack(tagint *); int convert_string(int, double *); void write_data(int, double *); void parse_fields(int, char **); int add_compute(char *); int add_fix(char *); typedef void (DumpLocal::*FnPtrWrite)(int, double *); FnPtrWrite write_choice; // ptr to write data functions void write_string(int, double *); void write_lines(int, double *); // customize by adding a method prototype typedef void (DumpLocal::*FnPtrPack)(int); FnPtrPack *pack_choice; // ptrs to pack functions void pack_index(int); void pack_compute(int); void pack_fix(int); }; } #endif #endif /* ERROR/WARNING messages: E: No dump local arguments specified Self-explanatory. 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: Binary files are not supported with dump local UNDOCUMENTED E: Dump local cannot sort by atom ID This is because dump local does not really dump per-atom info. E: Dump_modify format line is too short UNDOCUMENTED E: Could not find dump local compute ID Self-explanatory. E: Could not find dump local fix ID Self-explanatory. E: Dump local and fix not computed at compatible times The fix must produce per-atom quantities on timesteps that dump local needs them. E: Compute used in dump between runs is not current The compute was not invoked on the current timestep, therefore it cannot be used in a dump between runs. E: Dump local count is not consistent across input fields Every column of output must be the same length. E: Invalid attribute in dump local command Self-explanatory. E: Dump local compute does not compute local info Self-explanatory. E: Dump local compute does not calculate local vector Self-explanatory. E: Dump local compute does not calculate local array Self-explanatory. E: Dump local compute vector is accessed out-of-range Self-explanatory. E: Dump local fix does not compute local info Self-explanatory. E: Dump local fix does not compute local vector Self-explanatory. E: Dump local fix does not compute local array Self-explanatory. E: Dump local fix vector is accessed out-of-range Self-explanatory. E: Dump local attributes contain no compute or fix Self-explanatory. */