forked from lijiext/lammps
58 lines
1.9 KiB
Plaintext
58 lines
1.9 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix print command :h3
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[Syntax:]
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fix ID group-ID print N string :pre
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ID, group-ID are documented in "fix"_fix.html command
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print = style name of this fix command
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N = print every N steps
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string = text string to print with optional variable names :ul
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[Examples:]
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fix extra all print 100 "Coords of marker atom = $x $y $z" :pre
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[Description:]
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Print a text string to the screen and logfile every N steps during a
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simulation run. This can be used for diagnostic purposes or even as a
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debugging tool to monitor some quantity during a run. The text string
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must be a single argument, so it should be enclosed in double quotes
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if it is more than one word. If it contains variables ($a thru $z) it
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must be enclosed in double quotes to insure they are not evaluated
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when the input script is read, but will instead be evaluated when the
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string is printed.
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See the "variable"_variable.html command for a description of {equal}
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style variables which are the most useful ones to use with the fix
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print command, since they are evaluated afresh each timestep that the
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fix print line is output.
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Note that if {equal}-style variables are used in the print line which
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contain "thermo_style custom"_thermo_style.html keywords for potential
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energy such as pe, eng, evdwl, ebond, etc, they will only be
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up-to-date on timesteps where thermodynamics are computed. Hence, if
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you output thermodynamics every 100 steps, but issue a fix print
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command with N = 2 that contains such a variable, the printed value
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will only be current on timesteps that are a multiple of 100. This is
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because the potential functions in LAMMPS (pairwise, bond, etc) only
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compute energies on timesteps when thermodynamic output is being
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performed.
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[Restrictions:] none
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[Related commands:]
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"variable"_variable.html, "print"_print.html
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[Default:] none
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