forked from lijiext/lammps
74 lines
1.9 KiB
C++
74 lines
1.9 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef DUMP_CLASS
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DumpStyle(cfg,DumpCFG)
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#else
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#ifndef LMP_DUMP_CFG_H
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#define LMP_DUMP_CFG_H
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#include "dump_custom.h"
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namespace LAMMPS_NS {
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class DumpCFG : public DumpCustom {
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public:
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int multifile_override; // used by write_dump command
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DumpCFG(class LAMMPS *, int, char **);
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virtual ~DumpCFG();
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protected:
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char **auxname; // name strings of auxiliary properties
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int unwrapflag; // 1 if unwrapped coordinates are requested
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void init_style();
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virtual void write_header(bigint);
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int convert_string(int, double *);
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virtual void write_data(int, double *);
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typedef void (DumpCFG::*FnPtrWrite)(int, double *);
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FnPtrWrite write_choice; // ptr to write data functions
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void write_string(int, double *);
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void write_lines(int, double *);
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};
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}
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu'
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This is a requirement of the CFG output format. See the dump cfg doc
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page for more details.
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E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
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Self-explanatory.
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E: Dump cfg requires one snapshot per file
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Use the wildcard "*" character in the filename.
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U: Invalid keyword in dump cfg command
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Self-explanatory.
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*/
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