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output.h
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Sun, Aug 25, 10:21
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rLAMMPS lammps
output.h
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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.
------------------------------------------------------------------------- */
#ifndef OUTPUT_H
#define OUTPUT_H
#include "lammps.h"
class
Thermo
;
class
Dump
;
class
WriteRestart
;
class
Output
:
public
LAMMPS
{
public:
int
next
;
// next timestep for any kind of output
int
next_thermo
;
// next timestep for thermo output
int
thermo_every
;
// thermo output every this many steps
int
last_thermo
;
// last timestep thermo was output
Thermo
*
thermo
;
// Thermodynamic computations
int
ndump
;
// # of Dumps defined
int
max_dump
;
// max size of Dump list
int
next_dump_any
;
// next timestep for any Dump
int
*
next_dump
;
// next timestep to do each Dump
int
*
dump_every
;
// output of each Dump every this many steps
int
*
last_dump
;
// last timestep each a snapshot was output
Dump
**
dump
;
// list of defined Dumps
int
next_restart
;
// next timestep to write a restart file
int
restart_every
;
// write a restart file every this many steps
int
last_restart
;
// last timestep a restart file was output
int
restart_toggle
;
// 0 if use restart1 as prefix
// 1 if use restart1 as file, 2 for restart2
char
*
restart1
,
*
restart2
;
// names for restart files
WriteRestart
*
restart
;
// Restart output
Output
();
~
Output
();
void
init
();
void
setup
(
int
);
// initial output before run/min
void
write
(
int
);
// output for current timestep
void
add_dump
(
int
,
char
**
);
// add a Dump to Dump list
void
modify_dump
(
int
,
char
**
);
// modify a Dump
void
delete_dump
(
char
*
);
// delete a Dump from Dump list
void
create_thermo
(
int
,
char
**
);
// create a thermo style
void
create_restart
(
int
,
char
**
);
// create Restart and restart files
void
print_memory_usage
();
// print out memory usage
};
#endif
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