forked from lijiext/lammps
72 lines
2.5 KiB
Plaintext
72 lines
2.5 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
|
|
|
|
:link(lws,http://lammps.sandia.gov)
|
|
:link(ld,Manual.html)
|
|
:link(lc,Section_commands.html#comm)
|
|
|
|
:line
|
|
|
|
reset_timestep command :h3
|
|
|
|
[Syntax:]
|
|
|
|
reset_timestep N :pre
|
|
|
|
N = timestep number :ul
|
|
|
|
[Examples:]
|
|
|
|
reset_timestep 0
|
|
reset_timestep 4000000 :pre
|
|
|
|
[Description:]
|
|
|
|
Set the timestep counter to the specified value. This command
|
|
normally comes after the timestep has been set by reading it in from a
|
|
file or a previous simulation advanced the timestep.
|
|
|
|
The "read_data"_read_data.html and "create_box"_create_box.html
|
|
commands set the timestep to 0; the "read_restart"_read_restart.html
|
|
command sets the timestep to the value it had when the restart file
|
|
was written.
|
|
|
|
[Restrictions:] none
|
|
|
|
This command cannot be used when a dump file is defined via the
|
|
"dump"_dump.html command and has already been written to. It also
|
|
cannot be used when a "restart frequency"_restart.html has been set,
|
|
and a restart file has already been written. This is because the
|
|
changed timestep can mess up the planned timestep for the next file
|
|
write. See the "undump"_undump.html command or "restart
|
|
0"_restart.html command for info on how to turn off these definitions
|
|
if necessary. New specifications for dump and restart files can be
|
|
given after the reset_timestep command is used.
|
|
|
|
This command cannot be used when any fixes are defined that keep track
|
|
of elapsed time to perform time-dependent operations. Examples
|
|
include the "ave" fixes such as "fix
|
|
ave/spatial"_fix_ave_spatial.html. Also "fix
|
|
dt/reset"_fix_dt_reset.html and "fix deposit"_fix_deposit.html.
|
|
|
|
This command cannot be used when any dynamic regions are defined via
|
|
the "region"_region.html command, which have time-dependent position
|
|
and orientation.
|
|
|
|
There are other fixes which use the current timestep which may produce
|
|
unexpected behavior, but LAMMPS allows them to be in place when
|
|
resetting the timestep. For example, commands which thermostat the
|
|
system, e.g. "fix nvt"_fix_nh.html, allow you to specify a target
|
|
temperature which ramps from Tstart to Tstop which may persist over
|
|
several runs. If you change the timestep, you may change the target
|
|
temperature.
|
|
|
|
Resetting the timestep will clear the flags for "computes"_compute.html
|
|
that may have calculated some quantity from a previous run. This
|
|
means that quantity cannot be accessed by a variable in between runs
|
|
until a new run is performed. See the "variable"_variable.html
|
|
command for more details.
|
|
|
|
[Related commands:] none
|
|
|
|
[Default:] none
|