forked from lijiext/lammps
69 lines
2.6 KiB
Plaintext
69 lines
2.6 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 it must be
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enclosed in double quotes to insure they are not evaluated when the
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input script is read, but will instead be evaluated when the string is
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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. Equal-style variables can calculate complex
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formulas involving atom and group properties, mathematical operations,
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other variables, etc.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
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are relevant to this fix. No global scalar or vector or per-atom
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quantities are stored by this fix for access by various "output
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commands"_Section_howto.html#4_15. No parameter of this fix can be
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used with the {start/stop} keywords of the "run"_run.html command.
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This fix is not invoked during "energy minimization"_minimize.html.
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[Restrictions:]
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If {equal}-style variables are used which contain
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"thermo_style custom"_thermo_style.html keywords for energy such as
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pe, eng, evdwl, ebond, etc, then they will only be up-to-date on
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timesteps where thermodynamics are computed. For example, if you
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output thermodynamics every 100 steps, but issue a fix print command
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with N = 2 that contains such a variable, the printed value will only
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be current on timesteps that are a multiple of 100. This is because
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the potential functions in LAMMPS (pairwise, bond, etc) only compute
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energies on timesteps when thermodynamic output is being performed.
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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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