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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9899 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2013-05-23 18:01:56 +00:00
parent 732d9d7517
commit e2d965dac9
2 changed files with 18 additions and 18 deletions
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18
doc/fix_reax_bonds.html
View File

@ -30,11 +30,11 @@ fix 1 all reax/c/bonds 100 bonds.reaxc
<P><B>Description:</B>
</P>
<P>Write out the bond information computed by the ReaxFF potential
specified by <A HREF = "pair_reax.html">pair_style reax</A> or
<A HREF = "pair_reax_c.html">pair_style reax/c</A> in the exact same format as
the stand-alone ReaxFF code. The bond information
is written to <I>filename</I> on timesteps that are multiples of <I>Nevery</I>,
including timestep 0. For time-averaged chemical species analysis,
specified by <A HREF = "pair_reax.html">pair_style reax</A> or <A HREF = "pair_reax_c.html">pair_style
reax/c</A> in the exact same format as the original
stand-alone ReaxFF code of Adri van Duin. The bond information is
written to <I>filename</I> on timesteps that are multiples of <I>Nevery</I>,
including timestep 0. For time-averaged chemical species analysis,
please see the <A HREF = "fix_species.html">fix species</A> command.
</P>
<P>The format of the output file should be self-explantory.
@ -58,10 +58,10 @@ reax</A> 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 command requires that the <A HREF = "pair_reax_c.html">pair_style
reax/c</A> be invoked. This fix is part of the USER-REAXC
package. It is only enabled if LAMMPS was built with that package.
See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more
info.
reax/c</A> be invoked. This fix is part of the
USER-REAXC package. It is only enabled if LAMMPS was built with that
package. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section
for more info.
</P>
<P><B>Related commands:</B>
</P>

18
doc/fix_reax_bonds.txt
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@ -26,11 +26,11 @@ fix 1 all reax/c/bonds 100 bonds.reaxc :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 in the exact same format as
the stand-alone ReaxFF code. The bond information
is written to {filename} on timesteps that are multiples of {Nevery},
including timestep 0. For time-averaged chemical species analysis,
specified by "pair_style reax"_pair_reax.html or "pair_style
reax/c"_pair_reax_c.html in the exact same format as the original
stand-alone ReaxFF code of Adri van Duin. The bond information is
written to {filename} on timesteps that are multiples of {Nevery},
including timestep 0. For time-averaged chemical species analysis,
please see the "fix species"_fix_species.html command.
The format of the output file should be self-explantory.
@ -54,10 +54,10 @@ 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 command 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 for more
info.
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
for more info.
[Related commands:]