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Added warning about box dimesnions 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6941 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2011-09-13 00:28:42 +00:00
parent eea9b8bfe0
commit e51d04c730
4 changed files with 21 additions and 2 deletions
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4
doc/fix_qeq_reax.html
View File

@ -77,6 +77,10 @@ be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info.
</P>
<P>This fix 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>
<P><A HREF = "pair_reax_c.html">pair_style reax/c</A>

4
doc/fix_qeq_reax.txt
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@ -74,6 +74,10 @@ 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.
This fix 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:]
"pair_style reax/c"_pair_reax_c.html

8
doc/pair_reax_c.html
View File

@ -258,6 +258,10 @@ 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>
<P><A HREF = "pair_coeff.html">pair_coeff</A>, <A HREF = "fix_qeq_reax.html">fix_qeq_reax</A>,
@ -274,7 +278,9 @@ will be 0.0.
<P><B>(Chenoweth_2008)</B> Chenoweth, van Duin and Goddard,
Journal of Physical Chemistry A, 112, 1040-1053 (2008).
</P>
<P>:link(Aktulga) <B>(Aktulga)</B> Aktulga, Fogarty, Pandit, Grama, Parallel
<A NAME = "Aktulga"></A>
<P><B>(Aktulga)</B> Aktulga, Fogarty, Pandit, Grama, Parallel
Computing, to appear (2011).
</P>
</HTML>

7
doc/pair_reax_c.txt
View File

@ -254,6 +254,10 @@ 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:]
"pair_coeff"_pair_coeff.html, "fix_qeq_reax"_fix_qeq_reax.html,
@ -269,5 +273,6 @@ The keyword default is checkqeq = yes.
[(Chenoweth_2008)] Chenoweth, van Duin and Goddard,
Journal of Physical Chemistry A, 112, 1040-1053 (2008).
:link(Aktulga) [(Aktulga)] Aktulga, Fogarty, Pandit, Grama, Parallel
:link(Aktulga)
[(Aktulga)] Aktulga, Fogarty, Pandit, Grama, Parallel
Computing, to appear (2011).