71 lines
2.9 KiB
C++
71 lines
2.9 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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#ifndef LMP_OUTPUT_H
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#define LMP_OUTPUT_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class Output : protected Pointers {
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public:
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int next; // next timestep for any kind of output
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int next_thermo; // next timestep for thermo output
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int thermo_every; // thermo output every this many steps
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int last_thermo; // last timestep thermo was output
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char *var_thermo; // variable name for thermo frequency
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int ivar_thermo; // variable index for thermo frequency
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class Thermo *thermo; // Thermodynamic computations
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int ndump; // # of Dumps defined
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int max_dump; // max size of Dump list
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int next_dump_any; // next timestep for any Dump
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int *every_dump; // output of each Dump every this many steps
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int *next_dump; // next timestep to do each Dump
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int *last_dump; // last timestep each a snapshot was output
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char **var_dump; // variable name for dump frequency
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int *ivar_dump; // variable index for dump frequency
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class Dump **dump; // list of defined Dumps
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int next_restart; // next timestep to write a restart file
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int restart_every; // write a restart file every this many steps
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int last_restart; // last timestep a restart file was output
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int restart_toggle; // 0 if use restart1 as prefix
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// 1 if use restart1 as file, 2 for restart2
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char *restart1,*restart2; // names for restart files
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class WriteRestart *restart; // Restart output
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Output(class LAMMPS *);
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~Output();
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void init();
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void setup(int); // initial output before run/min
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void write(int); // output for current timestep
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void write_dump(int); // force output of dump snapshots
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void write_restart(int); // force output of a restart file
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void add_dump(int, char **); // add a Dump to Dump list
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void modify_dump(int, char **); // modify a Dump
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void delete_dump(char *); // delete a Dump from Dump list
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void create_thermo(int, char **); // create a thermo style
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void create_restart(int, char **); // create Restart and restart files
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void memory_usage(); // print out memory usage
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};
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}
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#endif
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