forked from lijiext/lammps
77 lines
2.9 KiB
HTML
77 lines
2.9 KiB
HTML
<HTML>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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</CENTER>
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<HR>
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<H3>reset_timestep command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>reset_timestep N
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</PRE>
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<UL><LI>N = timestep number
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>reset_timestep 0
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reset_timestep 4000000
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Set the timestep counter to the specified value. This command
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normally comes after the timestep has been set by reading it in from a
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file or a previous simulation advanced the timestep.
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</P>
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<P>The <A HREF = "read_data.html">read_data</A> and <A HREF = "create_box.html">create_box</A>
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commands set the timestep to 0; the <A HREF = "read_restart.html">read_restart</A>
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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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</P>
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<P><B>Restrictions:</B> none
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</P>
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<P>This command cannot be used when a dump file is defined via the
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<A HREF = "dump.html">dump</A> command and has already been written to. It also
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cannot be used when a <A HREF = "restart.html">restart frequency</A> has been set,
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and a restart file has already been written. This is because the
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changed timestep can mess up the planned timestep for the next file
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write. See the <A HREF = "undump.html">undump</A> command or <A HREF = "restart.html">restart
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0</A> command for info on how to turn off these definitions
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if necessary. New specifications for dump and restart files can be
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given after the reset_timestep command is used.
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</P>
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<P>This command cannot be used when any fixes are defined that keep track
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of elapsed time to perform time-dependent operations. Examples
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include the "ave" fixes such as <A HREF = "fix_ave_spatial.html">fix
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ave/spatial</A>. Also <A HREF = "fix_dt_reset.html">fix
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dt/reset</A> and <A HREF = "fix_deposity.html">fix deposit</A>.
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</P>
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<P>This command cannot be used when any dynamic regions are defined via
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the <A HREF = "region.html">region</A> command, which have time-dependent position
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and orientation.
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</P>
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<P>There are other fixes which use the current timestep which may produce
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unexpected behavior, but LAMMPS allows them to be in place when
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resetting the timestep. For example, commands which thermostat the
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system, e.g. <A HREF = "fix_nvt.html">fix nvt</A>, allow you to specify a target
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temperature which ramps from Tstart to Tstop which may persist over
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several runs. If you change the timestep, you may change the target
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temperature.
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</P>
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<P>Resetting the timestep will clear the flags for <A HREF = "compute.html">computes</A>
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that may have calculated some quantity from a previous run. This
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means that quantity cannot be accessed by a variable in between runs
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until a new run is performed. See the <A HREF = "variable.html">variable</A>
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command for more details.
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</P>
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<P><B>Related commands:</B> none
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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