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Tue, Apr 15, 20:09
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rLAMMPS lammps
fix_print.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>fix print command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID print N string
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>print = style name of this fix command
<LI>N = print every N steps
<LI>string = text string to print with optional variable names
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix extra all print 100 "Coords of marker atom = $x $y $z"
</PRE>
<P><B>Description:</B>
</P>
<P>Print a text string to the screen and logfile every N steps during a
simulation run. This can be used for diagnostic purposes or even as a
debugging tool to monitor some quantity during a run. The text string
must be a single argument, so it should be enclosed in double quotes
if it is more than one word. If it contains variables ($a thru $z) it
must be enclosed in double quotes to insure they are not evaluated
when the input script is read, but will instead be evaluated when the
string is printed.
</P>
<P>See the <A HREF = "variable.html">variable</A> command for a description of <I>equal</I>
style variables which are the most useful ones to use with the fix
print command, since they are evaluated afresh each timestep that the
fix print line is output.
</P>
<P>Note that if <I>equal</I>-style variables are used in the print line which
contain <A HREF = "thermo_style.html">thermo_style custom</A> keywords for potential
energy such as pe, eng, evdwl, ebond, etc, they will only be
up-to-date on timesteps where thermodynamics are computed. Hence, if
you output thermodynamics every 100 steps, but issue a fix print
command with N = 2 that contains such a variable, the printed value
will only be current on timesteps that are a multiple of 100. This is
because the potential functions in LAMMPS (pairwise, bond, etc) only
compute energies on timesteps when thermodynamic output is being
performed.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "variable.html">variable</A>, <A HREF = "print.html">print</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>
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