forked from lijiext/lammps
57 lines
1.5 KiB
Plaintext
57 lines
1.5 KiB
Plaintext
"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)
|
|
|
|
:line
|
|
|
|
fix write/reax/bonds command :h3
|
|
|
|
[Syntax:]
|
|
|
|
fix ID group-ID write/reax/bonds Nevery filename :pre
|
|
|
|
ID, group-ID are documented in "fix"_fix.html command :ulb,l
|
|
write/reax/bonds = style name of this fix command :l
|
|
Nevery = output interval in timesteps :l
|
|
filename = naem of output file
|
|
|
|
[Examples:]
|
|
|
|
fix 1 all write/reax/bonds 100 bonds.tatb
|
|
|
|
[Description:]
|
|
|
|
Write out the bond information computed by the
|
|
ReaxFF potential ("pair_style reax"_pair_reax.html).
|
|
During dynamics runs, the bond information is written
|
|
to {filename} on timesteps that are multiples of
|
|
{Nevery}, including timestep 0. No output is generated
|
|
during minimization runs.
|
|
|
|
: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. This fix does not provide any compute
|
|
quantities.
|
|
|
|
[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#2_3 section for more info.
|
|
|
|
[Related commands:]
|
|
|
|
"pair_style reax"_pair_reax.html
|
|
|
|
[Default:]
|
|
|
|
none
|