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doc/pair_resquared.html
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@ -15,15 +15,13 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style style cutoff
<PRE>pair_style resquared cutoff
</PRE>
<UL><LI>style = <I>resquared</I> or <I>resquared/gpu</I>
<LI>cutoff = global cutoff for interactions (distance units)
<UL><LI>cutoff = global cutoff for interactions (distance units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style resquared 10.0
pair_style resquared/gpu 10.0
pair_coeff * * 1.0 1.0 1.7 3.4 3.4 1.0 1.0 1.0
</PRE>
<P><B>Description:</B>
@ -36,9 +34,6 @@ of small spheres of size sigma. LJ particles are a single sphere of
size sigma. The distinction is made to allow the pair style to make
efficient calculations of ellipsoid/solvent interactions.
</P>
<P>Style <I>resquared/gpu</I> is a GPU-enabled version of style <I>resquared</I>.
See more details below.
</P>
<P>Details for the equations used are given in the references below and
in <A HREF = "PDF/pair_resquared_extra.pdf">this supplementary document</A>.
</P>
@ -150,18 +145,25 @@ specified in the pair_style command is used.
</P>
<HR>
<P>The styles with a <I>gpu</I> suffix are identical to the corresponding
styles without the suffix, except that each processor off-loads its
pairwise calculations to a GPU. Depending on the hardware available
on your system this can provide a speed-up. See <A HREF = "doc/Section_accerate.html">this
section</A> of the manual for more details.
<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
as the corresponding style without the suffix. They have been
optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for round-off and precision issues.
</P>
<P>Additional requirements in your input script to run the styles with a
<I>gpu</I> suffix are as follows:
<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
section for more info.
</P>
<P>The <A HREF = "newton.html">newton pair</A> setting must be <I>off</I> and the <A HREF = "fix_gpu.html">fix
gpu</A> command must be used. The fix controls the GPU
selection and initialization steps.
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
switch</A> when you invoke LAMMPS, or you can use
the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
@ -203,9 +205,8 @@ command</A>.
<P><B>Restrictions:</B>
</P>
<P>This style is part of the "asphere" package. The styles with a <I>gpu</I>
suffix are part of the "gpu" package. They are only enabled if LAMMPS
was built with those packages. See the <A HREF = "Section_start.html#2_3">Making
<P>This style is part of the "asphere" package. It is only enabled if
LAMMPS was built with that package. See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
</P>
<P>This pair style requires that atoms be ellipsoids as defined by the