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< title > fix print command — LAMMPS 15 May 2015 version documentation< / title >
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< span id = "index-0" > < / span > < h1 > fix print command< a class = "headerlink" href = "#fix-print-command" title = "Permalink to this headline" > ¶< / a > < / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< a class = "headerlink" href = "#syntax" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > fix ID group-ID print N string keyword value ...
< / pre > < / div >
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< ul class = "simple" >
< li > ID, group-ID are documented in < a class = "reference internal" href = "fix.html" > < em > fix< / em > < / a > command< / li >
< li > print = style name of this fix command< / li >
< li > N = print every N steps< / li >
< li > string = text string to print with optional variable names< / li >
< li > zero or more keyword/value pairs may be appended< / li >
< li > keyword = < em > file< / em > or < em > append< / em > or < em > screen< / em > or < em > title< / em > < / li >
< / ul >
< pre class = "literal-block" >
< em > file< / em > value = filename
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< em > append< / em > value = filename
< em > screen< / em > value = < em > yes< / em > or < em > no< / em >
< em > title< / em > value = string
string = text to print as 1st line of output file
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< / pre >
< / div >
< div class = "section" id = "examples" >
< h2 > Examples< a class = "headerlink" href = "#examples" title = "Permalink to this headline" > ¶< / a > < / h2 >
< div class = "highlight-python" > < div class = "highlight" > < pre > fix extra all print 100 " Coords of marker atom = $x $y $z"
fix extra all print 100 " Coords of marker atom = $x $y $z" file coord.txt
< / pre > < / div >
< / div >
< / div >
< div class = "section" id = "description" >
< h2 > Description< a class = "headerlink" href = "#description" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > Print a text string every N steps during a simulation run. This can
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be used for diagnostic purposes or 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 it must be enclosed in double quotes to
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insure they are not evaluated when the input script line is read, but
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will instead be evaluated each time the string is printed.< / p >
< p > See the < a class = "reference internal" href = "variable.html" > < em > variable< / em > < / a > command for a description of < em > equal< / em >
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style variables which are the most useful ones to use with the fix
print command, since they are evaluated afresh each timestep that the
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fix print line is output. Equal-style variables calculate formulas
involving mathematical operations, atom properties, group properties,
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thermodynamic properties, global values calculated by a
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< a class = "reference internal" href = "compute.html" > < em > compute< / em > < / a > or < a class = "reference internal" href = "fix.html" > < em > fix< / em > < / a > , or references to other
< a class = "reference internal" href = "variable.html" > < em > variables< / em > < / a > .< / p >
< p > If the < em > file< / em > or < em > append< / em > keyword is used, a filename is specified to
which the output generated by this fix will be written. If < em > file< / em > is
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used, then the filename is overwritten if it already exists. If
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< em > append< / em > is used, then the filename is appended to if it already
exists, or created if it does not exist.< / p >
< p > If the < em > screen< / em > keyword is used, output by this fix to the screen and
logfile can be turned on or off as desired.< / p >
< p > The < em > title< / em > keyword allow specification of the string that will be
printed as the first line of the output file, assuming the < em > file< / em >
keyword was used. By default, the title line is as follows:< / p >
< div class = "highlight-python" > < div class = "highlight" > < pre > < span class = "c" > # Fix print output for fix ID< / span >
< / pre > < / div >
< / div >
< p > where ID is replaced with the fix-ID.< / p >
< / div >
< div class = "section" id = "restart-fix-modify-output-run-start-stop-minimize-info" >
< h2 > Restart, fix_modify, output, run start/stop, minimize info< a class = "headerlink" href = "#restart-fix-modify-output-run-start-stop-minimize-info" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > No information about this fix is written to < a class = "reference internal" href = "restart.html" > < em > binary restart files< / em > < / a > . None of the < a class = "reference internal" href = "fix_modify.html" > < em > fix_modify< / em > < / a > options
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various < a class = "reference internal" href = "Section_howto.html#howto-15" > < span > output commands< / span > < / a > . No parameter of this fix can
be used with the < em > start/stop< / em > keywords of the < a class = "reference internal" href = "run.html" > < em > run< / em > < / a > command.
This fix is not invoked during < a class = "reference internal" href = "minimize.html" > < em > energy minimization< / em > < / a > .< / p >
< / div >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< a class = "headerlink" href = "#restrictions" title = "Permalink to this headline" > ¶< / a > < / h2 >
< blockquote >
< div > none< / div > < / blockquote >
< / div >
< div class = "section" id = "related-commands" >
< h2 > Related commands< a class = "headerlink" href = "#related-commands" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > < a class = "reference internal" href = "variable.html" > < em > variable< / em > < / a > , < a class = "reference internal" href = "print.html" > < em > print< / em > < / a > < / p >
< / div >
< div class = "section" id = "default" >
< h2 > Default< a class = "headerlink" href = "#default" title = "Permalink to this headline" > ¶< / a > < / h2 >
< p > The option defaults are no file output, screen = yes, and title string
as described above.< / p >
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