forked from lijiext/lammps
66 lines
2.0 KiB
Plaintext
66 lines
2.0 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 reax/bonds command :h3
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fix reax/c/bonds command :h3
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[Syntax:]
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fix ID group-ID style Nevery filename :pre
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ID, group-ID are documented in "fix"_fix.html command
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style = {reax/bonds} or {reax/c/bonds}
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Nevery = output interval in timesteps
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filename = name of output file :ul
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[Examples:]
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fix 1 all reax/bonds 100 bonds.tatb
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fix 1 all reax/c/bonds 100 bonds.reaxc :pre
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[Description:]
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Write out the bond information computed by the ReaxFF potential
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specified by "pair_style reax"_pair_reax.html or "pair_style
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reax/c"_pair_reax_c.html. The bond information is written to
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{filename} on timesteps that are multiples of {Nevery}, including
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timestep 0.
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The format of the output file should be self-explantory.
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:line
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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 or per-atom quantities are stored
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by this fix for access by various "output
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commands"_Section_howto.html#howto_15. No parameter of this fix can
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be 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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The fix reax/bonds requires that the "pair_style reax"_pair_reax.html
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be invoked. This fix is part of the REAX package. It is only enabled
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if LAMMPS was built with that package, which also requires the REAX
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library be built and linked with LAMMPS. The fix reax/c/bonds
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requires that the "pair_style reax/c"_pair_reax_c.html be invoked,
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which is part of the USER-REAXC package. It is only enabled if LAMMPS
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was built with that package. See the "Making
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LAMMPS"_Section_start.html#start_3 section for more info.
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[Related commands:]
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"pair_style reax"_pair_reax.html, "pair_style reax/c"_pair_reax_c.html
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[Default:]
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none
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