forked from lijiext/lammps
62 lines
1.9 KiB
Plaintext
62 lines
1.9 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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reset_timestep command :h3
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[Syntax:]
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reset_timestep N :pre
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N = timestep number :ul
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[Examples:]
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reset_timestep 0
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reset_timestep 4000000 :pre
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[Description:]
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Set the timestep counter to the specified value. This command
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normally comes after the timestep has been set by reading a restart
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file via the "read_restart"_read_restart.html command, or a previous
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simulation advanced the timestep.
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The "read_data"_read_data.html and "create_box"_create_box.html
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commands set the timestep to 0; the "read_restart"_read_restart.html
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command sets the timestep to the value it had when the restart file
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was written.
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[Restrictions:] none
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This command cannot be used when any fixes are defined that keep track
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of elapsed time to perform certain kinds of time-dependent operations.
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Examples are the "fix deposit"_fix_deposit.html and "fix
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dt/reset"_fix_dt_reset.html commands. The former adds atoms on
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specific timesteps. The latter keeps track of accumulated time.
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Various fixes use the current timestep to calculate related
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quantities. If the timestep is reset, this may produce unexpected
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behavior, but LAMMPS allows the fixes to be defined even if the
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timestep is reset. For example, commands which thermostat the system,
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e.g. "fix nvt"_fix_nh.html, allow you to specify a target temperature
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which ramps from Tstart to Tstop which may persist over several runs.
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If you change the timestep, you may induce an instantaneous change in
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the target temperature.
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Resetting the timestep clears flags for "computes"_compute.html that
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may have calculated some quantity from a previous run. This means
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these quantity cannot be accessed by a variable in between runs until
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a new run is performed. See the "variable"_variable.html command for
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more details.
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[Related commands:]
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"rerun"_rerun.html
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[Default:] none
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