lammps/doc/print.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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<H3>print command
</H3>
<P><B>Syntax:</B>
</P>
<P>print string keyword value:pre
</P>
<UL><LI>string = text string to print, which may contain variables
<LI>zero or more keyword/value pairs may be appended
<LI>keyword = <I>file</I> or <I>append</I> or <I>screen</I>
<PRE> <I>file</I> value = filename
<I>append</I> value = filename
<I>screen</I> value = <I>yes</I> or <I>no</I>
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>print "Done with equilibration" file info.dat
print Vol=$v append info.dat screen no
print "The system volume is now $v"
print 'The system volume is now $v'
</PRE>
<P><B>Description:</B>
</P>
<P>Print a text string to the screen and logfile. One line of output is
generated. 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, they will be evaluated and their current values printed.
</P>
<P>If the <I>file</I> or <I>append</I> keyword is used, a filename is specified to
which the output will be written. If <I>file</I> is used, then the
filename is overwritten if it already exists. If <I>append</I> is used,
then the filename is appended to if it already exists, or created if
it does not exist.
</P>
<P>If the <I>screen</I> keyword is used, output to the screen and logfile can
be turned on or off as desired.
</P>
<P>If you want the print command to be executed multiple times (with
changing variable values), there are 3 options. First, consider using
the <A HREF = "fix_print.html">fix print</A> command, which will print a string
periodically during a simulation. Second, the print command can be
used as an argument to the <I>every</I> option of the <A HREF = "run.html">run</A>
command. Third, the print command could appear in a section of the
input script that is looped over (see the <A HREF = "jump.html">jump</A> and
<A HREF = "next.html">next</A> commands).
</P>
<P>See the <A HREF = "variable.html">variable</A> command for a description of <I>equal</I>
style variables which are typically the most useful ones to use with
the print command. Equal-style variables can calculate formulas
involving mathematical operations, atom properties, group properties,
thermodynamic properties, global values calculated by a
<A HREF = "compute.html">compute</A> or <A HREF = "fix.html">fix</A>, or references to other
<A HREF = "variable.html">variables</A>.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "fix_print.html">fix print</A>, <A HREF = "variable.html">variable</A>
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are no file output and screen = yes.
</P>
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