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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8940 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-10-11 14:42:38 +00:00
parent a2176cb79b
commit 3f7bd84d35
3 changed files with 13 additions and 2 deletions
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2
doc/kspace_modify.html
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@ -64,7 +64,7 @@ user-specified accuracy and pairwise cutoff. Values for x,y,z of
<P>The <I>mesh/disp</I> keyword sets the grid size for kspace style
<I>pppm/disp</I>. This is the FFT mesh for long-range dispersion and ach
dimension must be factorizable into powers of 2, 3, and 5. When this
option is not set, the PPPM solver chooses its own grid size,
option is not set, the PPPM solver chooses its own grid size,
consistent with the user-specified accuracy and pairwise cutoff.
Values for x,y,z of 0,0,0 unset the option.
</P>

2
doc/kspace_style.html
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@ -77,7 +77,7 @@ style</A> to perform consistent short-range pairwise
calculations. This means that the name of the pair style contains a
matching keyword to the name of the KSpace style, as in this table:
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<DIV ALIGN=center><TABLE BORDER=1 >
<TR ALIGN="center"><TD >Pair style </TD><TD > KSpace style </TD></TR>
<TR ALIGN="center"><TD >coul/long </TD><TD > ewald or pppm</TD></TR>
<TR ALIGN="center"><TD >coul/msm </TD><TD > msm</TD></TR>

11
doc/neigh_modify.html
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@ -122,6 +122,17 @@ times; they require one check for each time they have been specified.
the <A HREF = "delete_bonds.html">delete_bonds</A> command for information on
turning off bond interactions.
</P>
<P>IMPORTANT NOTE: Excluding pairwise interactions will not work
correctly when also using a long-range solver via the
<A HREF = "kspace_style.html">kspace_style</A> command. LAMMPS will give a warning
to this effect. This is because the short-range pairwise interaction
needs to subtract off a term from the total energy for pairs whose
short-range interaction is excluded, to compensate for how the
long-range solver treats the interaction. This is done correctly for
pairwise interactions that are excluded (or weighted) via the
<A HREF = "special_bonds.html">special_bonds</A> command. But it is not done for
interactions that are excluded via these neigh_modify exclude options.
</P>
<P>The <I>page</I> and <I>one</I> options affect how memory is allocated for the
neighbor lists. For most simulations the default settings for these
options are fine, but if a very large problem is being run or a very