From ffa4ed00562002f700370f4dce697f355429f772 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 14 May 2012 15:52:01 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8056 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_reax_bonds.html | 37 +++++++++++++++---------------------- doc/fix_reax_bonds.txt | 36 +++++++++++++++--------------------- doc/fix_reaxc_bonds.html | 10 +++++----- doc/fix_reaxc_bonds.txt | 10 +++++----- 4 files changed, 40 insertions(+), 53 deletions(-) diff --git a/doc/fix_reax_bonds.html b/doc/fix_reax_bonds.html index ad39921991..32788dc757 100644 --- a/doc/fix_reax_bonds.html +++ b/doc/fix_reax_bonds.html @@ -11,29 +11,25 @@

fix reax/bonds command

-

fix reax/c/bonds command -

Syntax:

-
fix ID group-ID style Nevery filename 
+
fix ID group-ID reax/bonds Nevery filename 
 

 
 
Examples:
 

-
fix 1 all reax/bonds 100 bonds.tatb
-fix 1 all reax/c/bonds 100 bonds.reaxc 
+
fix 1 all reax/bonds 100 bonds.tatb 
 

 
Description:
 

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

@@ -51,21 +47,18 @@ This fix is not invoked during energy minimization
 

 
Restrictions:
 

-
The fix reax/bonds requires that the pair_style reax
-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 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 for more info.
+
The fix reax/bonds command requires that the pair_style
+reax 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 for more
+info.
 

 
Related commands:
 

-
pair_style reax, pair_style reax/c
+
pair_style reax, pair_style
+reax/c/bonds
 

-
Default:
-

-
none
+
Default: none
 

 
diff --git a/doc/fix_reax_bonds.txt b/doc/fix_reax_bonds.txt
index 8d5caf2131..fe372b92f9 100644
--- a/doc/fix_reax_bonds.txt
+++ b/doc/fix_reax_bonds.txt
@@ -7,29 +7,26 @@
 :line
 
 fix reax/bonds command :h3
-fix reax/c/bonds command :h3
 
 [Syntax:]
 
-fix ID group-ID style Nevery filename :pre
+fix ID group-ID reax/bonds Nevery filename :pre
 
 ID, group-ID are documented in "fix"_fix.html command
-style = {reax/bonds} or {reax/c/bonds}
+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
-fix 1 all reax/c/bonds 100 bonds.reaxc :pre
+fix 1 all reax/bonds 100 bonds.tatb :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.
+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.
 
@@ -47,19 +44,16 @@ 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.
+The fix reax/bonds command 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, "pair_style reax/c"_pair_reax_c.html
+"pair_style reax"_pair_reax.html, "pair_style
+reax/c/bonds"_pair_reaxc_bonds.html
 
-[Default:]
-
-none
+[Default:] none
diff --git a/doc/fix_reaxc_bonds.html b/doc/fix_reaxc_bonds.html
index e03f8c66a7..23da5521ad 100644
--- a/doc/fix_reaxc_bonds.html
+++ b/doc/fix_reaxc_bonds.html
@@ -13,10 +13,10 @@
 
 
Syntax:
 

-
fix ID group-ID style Nevery Nrepeat Nfreq filename 
+
fix ID group-ID reax/c/bonds Nevery Nrepeat Nfreq filename 
 

 
  • ID, group-ID are documented in fix command
-
  • style = reax/c/bonds
+
  • reax/c/bonds = style name of this command
 
  • Nevery = output interval in timesteps
 
  • Nrepeat = # of times to use input values for calculating averages
 
  • Nfreq = calculate averages every this many timesteps
@@ -29,7 +29,7 @@
 
    Description:
 
    
 
    Write out the bond information computed by the ReaxFF potential
-specified by pair_style reax/c. Bond order values
+specified by pair_style reax/c.  Bond order values
 are averaged and the bond information is written to filename on
 timesteps that are multiples of Nfreq, including timestep 0.
 
    
@@ -50,7 +50,7 @@ timesteps 90,92,94,96,98,100 will be used to compute the final average
 on timestep 100.  Similarly for timesteps 190,192,194,196,198,200 on
 timestep 200, etc.
 
    
-
    The format of the output file should be self-explanatory. When using
+
    The format of the output file should be self-explanatory.  When using
 the same force field file with pair_style reax and
 pair_style reax/c, the following commands generate
 the same bond information:
@@ -75,7 +75,7 @@ This fix is not invoked during energy minimization
 
    The fix reax/c/bonds requires that the pair_style
 reax/c be invoked.  This fix is part of the
 USER-REAXC package.  It is only enabled if LAMMPS was built with that
-package. See the Making LAMMPS section
+package.  See the Making LAMMPS section
 for more info.
 
    
 
    Related commands:
diff --git a/doc/fix_reaxc_bonds.txt b/doc/fix_reaxc_bonds.txt
index 62ac36a9e7..512c8a490f 100644
--- a/doc/fix_reaxc_bonds.txt
+++ b/doc/fix_reaxc_bonds.txt
@@ -10,10 +10,10 @@ fix reax/c/bonds command :h3
 
 [Syntax:]
 
-fix ID group-ID style Nevery Nrepeat Nfreq filename :pre
+fix ID group-ID reax/c/bonds Nevery Nrepeat Nfreq filename :pre
 
 ID, group-ID are documented in "fix"_fix.html command
-style = {reax/c/bonds}
+reax/c/bonds = style name of this command
 Nevery = output interval in timesteps
 Nrepeat = # of times to use input values for calculating averages
 Nfreq = calculate averages every this many timesteps
@@ -26,7 +26,7 @@ fix 1 all reax/c/bonds 10 10 100 bonds.reaxc :pre
 [Description:]
 
 Write out the bond information computed by the ReaxFF potential
-specified by "pair_style reax/c"_pair_reax_c.html. Bond order values
+specified by "pair_style reax/c"_pair_reax_c.html.  Bond order values
 are averaged and the bond information is written to {filename} on
 timesteps that are multiples of {Nfreq}, including timestep 0.
 
@@ -47,7 +47,7 @@ timesteps 90,92,94,96,98,100 will be used to compute the final average
 on timestep 100.  Similarly for timesteps 190,192,194,196,198,200 on
 timestep 200, etc.
 
-The format of the output file should be self-explanatory. When using
+The format of the output file should be self-explanatory.  When using
 the same force field file with "pair_style reax"_pair_reax.html and
 "pair_style reax/c"_pair_reax_c.html, the following commands generate
 the same bond information:
@@ -72,7 +72,7 @@ This fix is not invoked during "energy minimization"_minimize.html.
 The fix reax/c/bonds requires that the "pair_style
 reax/c"_pair_reax_c.html be invoked.  This fix 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
+package.  See the "Making LAMMPS"_Section_start.html#start_3 section
 for more info.
 
 [Related commands:]