From f92ff11324f91c4c418dcb1ec078aaa29b0bd364 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 23 Jun 2008 15:02:54 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1904 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/neighbor.html | 7 +++++-- doc/neighbor.txt | 7 +++++-- doc/pair_colloid.html | 6 ++++++ doc/pair_colloid.txt | 6 ++++++ 4 files changed, 22 insertions(+), 4 deletions(-) diff --git a/doc/neighbor.html b/doc/neighbor.html index 245ab69d1f..f1a7446f74 100644 --- a/doc/neighbor.html +++ b/doc/neighbor.html @@ -58,7 +58,9 @@ other type pairs have a much shorter cutoff. For style multi the bin size is set to 1/2 of the shortest cutoff distance and multiple sets of bins are defined to search over for different atom types. This imposes some extra setup overhead, but the searches themselves -may be much faster for the short-cutoff cases. +may be much faster for the short-cutoff cases. See the communicate +multi command for a communication option option that +may also be beneficial for simulations of this kind.

The neigh_modify command has additional options that control how often neighbor lists are built and which pairs are @@ -73,7 +75,8 @@ section for details.

Related commands:

-

neigh_modify, units +

neigh_modify, units, +communicate

Default:

diff --git a/doc/neighbor.txt b/doc/neighbor.txt index 4271348c21..937793022e 100644 --- a/doc/neighbor.txt +++ b/doc/neighbor.txt @@ -55,7 +55,9 @@ other type pairs have a much shorter cutoff. For style {multi} the bin size is set to 1/2 of the shortest cutoff distance and multiple sets of bins are defined to search over for different atom types. This imposes some extra setup overhead, but the searches themselves -may be much faster for the short-cutoff cases. +may be much faster for the short-cutoff cases. See the "communicate +multi"_communicate.html command for a communication option option that +may also be beneficial for simulations of this kind. The "neigh_modify"_neigh_modify.html command has additional options that control how often neighbor lists are built and which pairs are @@ -70,7 +72,8 @@ section"_Section_start.html#2_7 for details. [Related commands:] -"neigh_modify"_neigh_modify.html, "units"_units.html +"neigh_modify"_neigh_modify.html, "units"_units.html, +"communicate"_communicate.html [Default:] diff --git a/doc/pair_colloid.html b/doc/pair_colloid.html index 78fb5cec6a..302ad45871 100644 --- a/doc/pair_colloid.html +++ b/doc/pair_colloid.html @@ -112,6 +112,12 @@ rule-of-thumb is to use a colloid-solvent cutoff that is half the big diameter + 4 times the small diameter. I.e. 9 = 5 + 4 for the colloid-solvent cutoff in this case.

+

IMPORTANT NOTE: When using pair_style colloid for a mixture with 2 (or +more) widely different particles sizes (e.g. sigma=10 colloids in a +background sigam=1 LJ fluid), you will likely want to use these +commands for efficiency: neighbor multi and +communicate multi. +

Mixing, shift, table, tail correction, restart, rRESPA info: diff --git a/doc/pair_colloid.txt b/doc/pair_colloid.txt index d569daa17e..15583ac3dd 100644 --- a/doc/pair_colloid.txt +++ b/doc/pair_colloid.txt @@ -109,6 +109,12 @@ rule-of-thumb is to use a colloid-solvent cutoff that is half the big diameter + 4 times the small diameter. I.e. 9 = 5 + 4 for the colloid-solvent cutoff in this case. +IMPORTANT NOTE: When using pair_style colloid for a mixture with 2 (or +more) widely different particles sizes (e.g. sigma=10 colloids in a +background sigam=1 LJ fluid), you will likely want to use these +commands for efficiency: "neighbor multi"_neighbor.html and +"communicate multi"_communicate.html. + :line [Mixing, shift, table, tail correction, restart, rRESPA info]: