From 5c500954ed460ecc78f5584fe19527a0db112dfb Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 14 Feb 2008 23:13:41 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1503 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/communicate.html | 20 +++++++++++++++++--- doc/communicate.txt | 19 +++++++++++++++---- doc/neigh_modify.html | 13 ++++++++++--- doc/neigh_modify.txt | 13 ++++++++++--- 4 files changed, 52 insertions(+), 13 deletions(-) diff --git a/doc/communicate.html b/doc/communicate.html index 1523bb4cef..a46431ab43 100644 --- a/doc/communicate.html +++ b/doc/communicate.html @@ -13,13 +13,22 @@

Syntax:

-
communicate style 
+
communicate style keyword value ... 
 

 
 
Examples:
 

-
communicate multi 
+
communicate multi
+communicate multi group solvent 
 

 
Description:
 

@@ -40,6 +49,11 @@ communicated.  See the neighbor multi command for
 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:
@@ -48,6 +62,6 @@ simulations of this kind.
 

 
Default:
 

-
style = single
+
The default settings are style = single and group = all.
 

 
diff --git a/doc/communicate.txt b/doc/communicate.txt
index a09fde28c2..9d294ed779 100644
--- a/doc/communicate.txt
+++ b/doc/communicate.txt
@@ -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.
diff --git a/doc/neigh_modify.html b/doc/neigh_modify.html
index 8afd1aa2e0..272e88e545 100644
--- a/doc/neigh_modify.html
+++ b/doc/neigh_modify.html
@@ -17,7 +17,7 @@
 

 
+
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
@@ -146,7 +153,7 @@ 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.
 

 
diff --git a/doc/neigh_modify.txt b/doc/neigh_modify.txt
index 7e9efa8120..46f5ad81bb 100644
--- a/doc/neigh_modify.txt
+++ b/doc/neigh_modify.txt
@@ -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.