forked from lijiext/lammps
50 lines
1.3 KiB
HTML
50 lines
1.3 KiB
HTML
<HTML>
|
|
<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>
|
|
</CENTER>
|
|
|
|
|
|
|
|
|
|
|
|
|
|
<HR>
|
|
|
|
<H3>timestep command
|
|
</H3>
|
|
<P><B>Syntax:</B>
|
|
</P>
|
|
<PRE>timestep dt
|
|
</PRE>
|
|
<UL><LI>dt = timestep size (time units)
|
|
</UL>
|
|
<P><B>Examples:</B>
|
|
</P>
|
|
<PRE>timestep 2.0
|
|
timestep 0.003
|
|
</PRE>
|
|
<P><B>Description:</B>
|
|
</P>
|
|
<P>Set the timestep size for subsequent molecular dynamics simulations.
|
|
See the <A HREF = "units.html">units</A> command for a discussion of time units.
|
|
The default value for the timestep also depends on the choice of units
|
|
for the simulation; see the default values below.
|
|
</P>
|
|
<P>When the <A HREF = "run_style.html">run style</A> is <I>respa</I>, dt is the timestep for
|
|
the outer loop (largest) timestep.
|
|
</P>
|
|
<P><B>Restrictions:</B> none
|
|
</P>
|
|
<P><B>Related commands:</B>
|
|
</P>
|
|
<P><A HREF = "fix_dt_reset.html">fix dt/reset</A>, <A HREF = "run.html">run</A>,
|
|
<A HREF = "run_style.html">run_style</A> respa, <A HREF = "units.html">units</A>
|
|
</P>
|
|
<P><B>Default:</B>
|
|
</P>
|
|
timestep = 0.005 tau for units = lj<BR>
|
|
timestep = 1.0 fmsec for units = real<BR>
|
|
timestep = 0.001 psec for units = metal<BR>
|
|
timestep = 1.0e-8 sec (10 nsec) for units = si or cgs <BR>
|
|
|
|
</HTML>
|