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rLAMMPS lammps
temp_modify.html
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<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>temp_modify command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>temp_modify temp-ID keyword value ...
</PRE>
<UL><LI>temp-ID = ID of temperature to modify
<LI>one or more keyword/value pairs may be listed
<LI>keyword = <I>extra</I> or <I>dynamic</I>
<PRE> <I>extra</I> value = N
N = # of extra degrees of freedom to subtract
<I>dynamic</I> value = <I>yes</I> or <I>no</I>
yes/no = do or do not recompute the number of atoms contributing to the temperature
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>temp_modify mine extra 0
temp_modify mine dynamic yes
</PRE>
<P><B>Description:</B>
</P>
<P>Modify the parameters of a previously defined temperature method.
This can either be the default temperature defined by LAMMPS (ID =
<I>default</I>) or a user-defined temperature created by using the
<A HREF = "temperature.html">temperature</A> command.
</P>
<P>The <I>extra</I> keyword refers to how many degrees-of-freedom are
subtracted (typically from 3N) as a normalizing factor in the
temperature computation. The default is 3 which is a correction
factor for an ensemble of velocities with zero total linear momentum.
</P>
<P>The <I>dynamic</I> keyword determines whether the number of atoms N in the
temperature group is re-computed each time the temperature is
computed. By default, N is assumed to be constant. If you are adding
atoms to the system (see the <A HREF = "fix_pour.html">fix pour</A> or <A HREF = "fix_deposit.html">fix
deposit</A> commands) or expect atoms to be lost
(e.g. due to evaporation), then this option can be used to insure the
temperature is correctly normalized.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "temperature.html">temperature</A>
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are extra = 3 and dynamic = no.
</P>
</HTML>
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