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.