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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11332 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-25 23:46:25 +00:00
parent 90b672593d
commit af931f23d0
2 changed files with 19 additions and 2 deletions
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11
doc/atom_style.html
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@ -145,7 +145,9 @@ only store a template index and template atom to identify which
molecule and which atom-within-the-molecule they represent. Using the molecule and which atom-within-the-molecule they represent. Using the
<I>template</I> style instead of the <I>bond</I>, <I>angle</I>, <I>molecular</I> styles <I>template</I> style instead of the <I>bond</I>, <I>angle</I>, <I>molecular</I> styles
can save memory for systems comprised of a large number of small can save memory for systems comprised of a large number of small
molecules, all of a single type (or small number of types). molecules, all of a single type (or small number of types). See the
paper by Grime and Voth, in <A HREF = "#Grime">(Grime)</A>, for examples of how this
can be advantageous for large-scale coarse-grained systems.
</P> </P>
<P>IMPORTANT NOTE: When using the <I>template</I> style with a <A HREF = "molecule.html">molecule <P>IMPORTANT NOTE: When using the <I>template</I> style with a <A HREF = "molecule.html">molecule
template</A> that contains multiple molecules, you should template</A> that contains multiple molecules, you should
@ -225,4 +227,11 @@ LAMMPS</A> section for more info.
</P> </P>
<P>atom_style atomic <P>atom_style atomic
</P> </P>
<HR>
<A NAME = "Grime"></A>
<P><B>(Grime)</B> Grime and Voth, to appear in J Chem Theory & Computation
(2014).
</P>
</HTML> </HTML>

10
doc/atom_style.txt
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@ -141,7 +141,9 @@ only store a template index and template atom to identify which
molecule and which atom-within-the-molecule they represent. Using the molecule and which atom-within-the-molecule they represent. Using the
{template} style instead of the {bond}, {angle}, {molecular} styles {template} style instead of the {bond}, {angle}, {molecular} styles
can save memory for systems comprised of a large number of small can save memory for systems comprised of a large number of small
molecules, all of a single type (or small number of types). molecules, all of a single type (or small number of types). See the
paper by Grime and Voth, in "(Grime)"_#Grime, for examples of how this
can be advantageous for large-scale coarse-grained systems.
IMPORTANT NOTE: When using the {template} style with a "molecule IMPORTANT NOTE: When using the {template} style with a "molecule
template"_molecule.html that contains multiple molecules, you should template"_molecule.html that contains multiple molecules, you should
@ -220,3 +222,9 @@ LAMMPS"_Section_start.html#start_3 section for more info.
[Default:] [Default:]
atom_style atomic atom_style atomic
:line
:link(Grime)
[(Grime)] Grime and Voth, to appear in J Chem Theory & Computation
(2014).