Homec4science
Diffusion lammps (lammps-icms) Browse

lammps/src/output.h
2041f82bc4bclammps-icms

Last Change
Raw File

output.h
View Options

/* ----------------------------------------------------------------------
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
c4science · Help