"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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fix reax/bonds command :h3
fix reax/c/bonds command :h3

[Syntax:]

fix ID group-ID style Nevery filename :pre

ID, group-ID are documented in "fix"_fix.html command
style = {reax/bonds} or {reax/c/bonds}
Nevery = output interval in timesteps
filename = name of output file :ul

[Examples:]

fix 1 all reax/bonds 100 bonds.tatb
fix 1 all reax/c/bonds 100 bonds.reaxc :pre

[Description:]

Write out the bond information computed by the ReaxFF potential
specified by "pair_style reax"_pair_reax.html or "pair_style
reax/c"_pair_reax_c.html.  The bond information is written to
{filename} on timesteps that are multiples of {Nevery}, including
timestep 0.

The format of the output file should be self-explantory.

:line

[Restart, fix_modify, output, run start/stop, minimize info:]

No information about this fix is written to "binary restart
files"_restart.html.  None of the "fix_modify"_fix_modify.html options
are relevant to this fix.  No global or per-atom quantities are stored
by this fix for access by various "output
commands"_Section_howto.html#howto_15.  No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.

[Restrictions:]

The fix reax/bonds requires that the "pair_style reax"_pair_reax.html
be invoked.  This fix is part of the REAX package.  It is only enabled
if LAMMPS was built with that package, which also requires the REAX
library be built and linked with LAMMPS.  The fix reax/c/bonds
requires that the "pair_style reax/c"_pair_reax_c.html be invoked,
which is part of the USER-REAXC package.  It is only enabled if LAMMPS
was built with that package.  See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

[Related commands:]

"pair_style reax"_pair_reax.html, "pair_style reax/c"_pair_reax_c.html

[Default:]

none
