69 lines
2.8 KiB
C++
69 lines
2.8 KiB
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.
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifndef LMP_OUTPUT_H
|
|
#define LMP_OUTPUT_H
|
|
|
|
#include "pointers.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class Output : protected Pointers {
|
|
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
|
|
class 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 *every_dump; // output of each Dump every this many steps
|
|
int *next_dump; // next timestep to do each Dump
|
|
int *last_dump; // last timestep each a snapshot was output
|
|
char **var_dump; // variable name for dump frequency
|
|
int *ivar_dump; // variable index for dump frequency
|
|
class 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
|
|
class WriteRestart *restart; // Restart output
|
|
|
|
Output(class LAMMPS *);
|
|
~Output();
|
|
void init();
|
|
void setup(int); // initial output before run/min
|
|
void write(int); // output for current timestep
|
|
void write_dump(int); // force output of dump snapshots
|
|
void write_restart(int); // force output of a restart file
|
|
|
|
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 memory_usage(); // print out memory usage
|
|
};
|
|
|
|
}
|
|
|
|
#endif
|