lammps/doc/fix_reax_bonds.txt

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fix reax/bonds command :h3

[Syntax:]

fix ID group-ID reax/bonds Nevery filename :pre

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

[Examples:]

fix 1 all reax/bonds 100 bonds.tatb

[Description:]

Write out the bond information computed by the ReaxFF potential
specified by "pair_style reax"_pair_reax.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:]

This fix 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.  See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

[Related commands:]

"pair_style reax"_pair_reax.html

[Default:]

none