From 7b788ebd0e28870ecab848633ddcb9f9e5058deb Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Thu, 30 Apr 2009 21:46:49 +0000
Subject: [PATCH] Added a fix to output ReaxFF bond-order information.

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2798 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
 doc/fix_write_reax_bonds.txt | 56 ++++++++++++++++++++++++++++++++++++
 1 file changed, 56 insertions(+)
 create mode 100644 doc/fix_write_reax_bonds.txt

diff --git a/doc/fix_write_reax_bonds.txt b/doc/fix_write_reax_bonds.txt
new file mode 100644
index 0000000000..965115d5ab
--- /dev/null
+++ b/doc/fix_write_reax_bonds.txt
@@ -0,0 +1,56 @@
+"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