81 lines
2.3 KiB
C++
81 lines
2.3 KiB
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(local,DumpLocal)
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#else
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#ifndef LMP_DUMP_LOCAL_H
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#define LMP_DUMP_LOCAL_H
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#include "dump.h"
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namespace LAMMPS_NS {
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class DumpLocal : public Dump {
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public:
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DumpLocal(LAMMPS *, int, char **);
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~DumpLocal();
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private:
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int nevery; // dump frequency to check Fix against
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char *label; // string for dump file header
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int nmine; // # of lines I am dumping
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int *vtype; // type of each vector (INT, DOUBLE)
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char **vformat; // format string for each vector element
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char *columns; // column labels
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int nfield; // # of keywords listed by user
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int *field2index; // which compute,fix,variable calcs this field
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int *argindex; // index into compute,fix scalar_atom,vector_atom
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// 0 for scalar_atom, 1-N for vector_atom values
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int ncompute; // # of Compute objects used by dump
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char **id_compute; // their IDs
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class Compute **compute; // list of ptrs to the Compute objects
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int nfix; // # of Fix objects used by dump
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char **id_fix; // their IDs
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class Fix **fix; // list of ptrs to the Fix objects
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void init_style();
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int modify_param(int, char **);
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void write_header(int);
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int count();
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void pack(int *);
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void write_data(int, double *);
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void parse_fields(int, char **);
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int add_compute(char *);
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int add_fix(char *);
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// customize by adding a method prototype
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typedef void (DumpLocal::*FnPtrPack)(int);
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FnPtrPack *pack_choice; // ptrs to pack functions
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void pack_index(int);
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void pack_compute(int);
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void pack_fix(int);
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};
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}
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#endif
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#endif
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