Homec4science
Diffusion lammps (master) Browse

lammps/doc/_sources/reset_timestep.txt
9cf43f2a0b7fmaster

Last Change
Raw File

reset_timestep.txt
View Options

.. index:: reset_timestep
reset_timestep command
======================
Syntax
""""""
.. parsed-literal::
reset_timestep N
* N = timestep number
Examples
""""""""
.. parsed-literal::
reset_timestep 0
reset_timestep 4000000
Description
"""""""""""
Set the timestep counter to the specified value. This command
normally comes after the timestep has been set by reading a restart
file via the :doc:`read_restart <read_restart>` command, or a previous
simulation advanced the timestep.
The :doc:`read_data <read_data>` and :doc:`create_box <create_box>`
commands set the timestep to 0; the :doc:`read_restart <read_restart>`
command sets the timestep to the value it had when the restart file
was written.
Restrictions
""""""""""""
none
This command cannot be used when any fixes are defined that keep track
of elapsed time to perform certain kinds of time-dependent operations.
Examples are the :doc:`fix deposit <fix_deposit>` and :doc:`fix dt/reset <fix_dt_reset>` commands. The former adds atoms on
specific timesteps. The latter keeps track of accumulated time.
Various fixes use the current timestep to calculate related
quantities. If the timestep is reset, this may produce unexpected
behavior, but LAMMPS allows the fixes to be defined even if the
timestep is reset. For example, commands which thermostat the system,
e.g. :doc:`fix nvt <fix_nh>`, 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 induce an instantaneous change in
the target temperature.
Resetting the timestep clears flags for :doc:`computes <compute>` that
may have calculated some quantity from a previous run. This means
these quantity cannot be accessed by a variable in between runs until
a new run is performed. See the :doc:`variable <variable>` command for
more details.
Related commands
""""""""""""""""
:doc:`rerun <rerun>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm
c4science · Help