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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7029 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-06 14:15:34 +00:00
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13
doc/pair_reax_c.html
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@ -253,15 +253,6 @@ the ReaxFF potential with any LAMMPS units, but you would need to
create your own potential file with coefficients listed in the create your own potential file with coefficients listed in the
appropriate units if your simulation doesn't use "real" units. appropriate units if your simulation doesn't use "real" units.
</P> </P>
<P>This pair style cannot yet compute per-atom energy or stress. If you
use another command that tries to calculate these quantities using
this pair style, a warning message will be printed and the quantities
will be 0.0.
</P>
<P>This pair style does not correctly handle interactions
involving multiple periodic images of the same atom. Hence, it should not
be used for periodic cell dimensions less than 10 angstroms.
</P>
<P><B>Related commands:</B> <P><B>Related commands:</B>
</P> </P>
<P><A HREF = "pair_coeff.html">pair_coeff</A>, <A HREF = "fix_qeq_reax.html">fix_qeq_reax</A>, <P><A HREF = "pair_coeff.html">pair_coeff</A>, <A HREF = "fix_qeq_reax.html">fix_qeq_reax</A>,
@ -280,7 +271,7 @@ Journal of Physical Chemistry A, 112, 1040-1053 (2008).
</P> </P>
<A NAME = "Aktulga"></A> <A NAME = "Aktulga"></A>
<P><B>(Aktulga)</B> Aktulga, Fogarty, Pandit, Grama, Parallel <P><B>(Aktulga)</B> Aktulga, Fogarty, Pandit, Grama, Parallel Computing, to
Computing, to appear (2011). appear (2011).
</P> </P>
</HTML> </HTML>

15
doc/pair_reax_c.txt
View File

@ -249,15 +249,6 @@ the ReaxFF potential with any LAMMPS units, but you would need to
create your own potential file with coefficients listed in the create your own potential file with coefficients listed in the
appropriate units if your simulation doesn't use "real" units. appropriate units if your simulation doesn't use "real" units.
This pair style cannot yet compute per-atom energy or stress. If you
use another command that tries to calculate these quantities using
this pair style, a warning message will be printed and the quantities
will be 0.0.
This pair style does not correctly handle interactions
involving multiple periodic images of the same atom. Hence, it should not
be used for periodic cell dimensions less than 10 angstroms.
[Related commands:] [Related commands:]
"pair_coeff"_pair_coeff.html, "fix_qeq_reax"_fix_qeq_reax.html, "pair_coeff"_pair_coeff.html, "fix_qeq_reax"_fix_qeq_reax.html,
@ -273,6 +264,6 @@ The keyword default is checkqeq = yes.
[(Chenoweth_2008)] Chenoweth, van Duin and Goddard, [(Chenoweth_2008)] Chenoweth, van Duin and Goddard,
Journal of Physical Chemistry A, 112, 1040-1053 (2008). Journal of Physical Chemistry A, 112, 1040-1053 (2008).
:link(Aktulga) :link(Aktulga)
[(Aktulga)] Aktulga, Fogarty, Pandit, Grama, Parallel [(Aktulga)] Aktulga, Fogarty, Pandit, Grama, Parallel Computing, to
Computing, to appear (2011). appear (2011).