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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1503 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2008-02-14 23:13:41 +00:00
parent f89945e8e5
commit 5c500954ed
4 changed files with 52 additions and 13 deletions
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20
doc/communicate.html
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@ -13,13 +13,22 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>communicate style
<PRE>communicate style keyword value ...
</PRE>
<UL><LI>style = <I>single</I> or <I>multi</I>
<LI>zero or more keyword/value pairs may be appended
<LI>keyword = <I>group</I>
<PRE> <I>group</I> value = group-ID = only communicate atoms in the group
</PRE>
</UL>
<P><B>Examples:</B>
</P>
<PRE>communicate multi
<PRE>communicate multi
communicate multi group solvent
</PRE>
<P><B>Description:</B>
</P>
@ -40,6 +49,11 @@ communicated. See the <A HREF = "neighbor.html">neighbor multi</A> command for
neighbor list construction option that may also be beneficial for
simulations of this kind.
</P>
<P>The <I>group</I> option will limit communication to atoms in the specified
group. This can be useful for certain models where no ghost copies
are needed for some kinds of particles. The particles not in the
specified group will still migrate to new processors as they move.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
@ -48,6 +62,6 @@ simulations of this kind.
</P>
<P><B>Default:</B>
</P>
<P>style = single
<P>The default settings are style = single and group = all.
</P>
</HTML>

19
doc/communicate.txt
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@ -10,13 +10,19 @@ communicate command :h3
[Syntax:]
communicate style :pre
communicate style keyword value ... :pre
style = {single} or {multi} :ul
style = {single} or {multi} :ulb,l
zero or more keyword/value pairs may be appended :l
keyword = {group} :l
{group} value = group-ID = only communicate atoms in the group :pre
:ule
[Examples:]
communicate multi :pre
communicate multi
communicate multi group solvent :pre
[Description:]
@ -37,6 +43,11 @@ communicated. See the "neighbor multi"_neighbor.html command for a
neighbor list construction option that may also be beneficial for
simulations of this kind.
The {group} option will limit communication to atoms in the specified
group. This can be useful for certain models where no ghost copies
are needed for some kinds of particles. The particles not in the
specified group will still migrate to new processors as they move.
[Restrictions:] none
[Related commands:]
@ -45,4 +56,4 @@ simulations of this kind.
[Default:]
style = single
The default settings are style = single and group = all.

13
doc/neigh_modify.html
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@ -17,7 +17,7 @@
</PRE>
<UL><LI>one or more keyword/value pairs may be listed
<PRE>keyword = <I>delay</I> or <I>every</I> or <I>check</I> or <I>exclude</I> or <I>page</I> or <I>one</I> or <I>binsize</I>
<PRE>keyword = <I>delay</I> or <I>every</I> or <I>check</I> or <I>include</I> or <I>exclude</I> or <I>page</I> or <I>one</I> or <I>binsize</I>
<I>delay</I> value = N
N = delay building until this many steps since last build
<I>every</I> value = M
@ -25,6 +25,8 @@
<I>check</I> value = <I>yes</I> or <I>no</I>
<I>yes</I> = only build if some atom has moved half the skin distance or more
<I>no</I> = always build on 1st step that <I>every</I> and <I>delay</I> are satisfied
<I>include</I> value = group-ID
group-ID = only build pair neighbor lists for atoms in this group
<I>exclude</I> values:
type M N
M,N = exclude if one atom in pair is type M, other is type N
@ -86,6 +88,11 @@ to freeze a wall or portion of a bio-molecule.
body can be turned off to save needless computation. See the <A HREF = "fix_rigid.html">fix
rigid</A> command for more details.
</UL>
<P>The <I>include</I> option limits the building of pairwise neighbor lists to
atoms in the specified group. This can be useful if a large portion
of the simulation is particles that do not interact with the remainder
of the simulation or with each other via pairwise interactions.
</P>
<P>The <I>exclude type</I> option turns off the pairwise interaction if one
atom is of type M and the other of type N. M can equal N. The
<I>exclude group</I> option turns off the interaction if one atom is in the
@ -146,7 +153,7 @@ space.
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are delay = 10, every = 1, check = yes, exclude =
none, page = 100000, one = 2000, and binsize = 0.0.
<P>The option defaults are delay = 10, every = 1, check = yes, include =
all, exclude = none, page = 100000, one = 2000, and binsize = 0.0.
</P>
</HTML>

13
doc/neigh_modify.txt
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@ -13,7 +13,7 @@ neigh_modify command :h3
neigh_modify keyword values ... :pre
one or more keyword/value pairs may be listed :ulb,l
keyword = {delay} or {every} or {check} or {exclude} or {page} or {one} or {binsize}
keyword = {delay} or {every} or {check} or {include} or {exclude} or {page} or {one} or {binsize}
{delay} value = N
N = delay building until this many steps since last build
{every} value = M
@ -21,6 +21,8 @@ keyword = {delay} or {every} or {check} or {exclude} or {page} or {one} or {bins
{check} value = {yes} or {no}
{yes} = only build if some atom has moved half the skin distance or more
{no} = always build on 1st step that {every} and {delay} are satisfied
{include} value = group-ID
group-ID = only build pair neighbor lists for atoms in this group
{exclude} values:
type M N
M,N = exclude if one atom in pair is type M, other is type N
@ -80,6 +82,11 @@ When one or more rigid bodies are specified, interactions within each
body can be turned off to save needless computation. See the "fix
rigid"_fix_rigid.html command for more details. :l,ule
The {include} option limits the building of pairwise neighbor lists to
atoms in the specified group. This can be useful if a large portion
of the simulation is particles that do not interact with the remainder
of the simulation or with each other via pairwise interactions.
The {exclude type} option turns off the pairwise interaction if one
atom is of type M and the other of type N. M can equal N. The
{exclude group} option turns off the interaction if one atom is in the
@ -140,5 +147,5 @@ space.
[Default:]
The option defaults are delay = 10, every = 1, check = yes, exclude =
none, page = 100000, one = 2000, and binsize = 0.0.
The option defaults are delay = 10, every = 1, check = yes, include =
all, exclude = none, page = 100000, one = 2000, and binsize = 0.0.