From 9b3cbcd8586fb08d7bc93ed1aefc6dfbd49666a7 Mon Sep 17 00:00:00 2001 From: athomps Date: Tue, 17 Feb 2009 18:50:26 +0000 Subject: [PATCH] Added once option to neigh_modify git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2595 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/neigh_modify.txt | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) diff --git a/doc/neigh_modify.txt b/doc/neigh_modify.txt index 5607dd2c6e..e8c548df03 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 {include} or {exclude} or {page} or {one} or {binsize} +keyword = {delay} or {every} or {check} or {include} or {exclude} or {page} or {one} or {binsize} or {once} {delay} value = N N = delay building until this many steps since last build {every} value = M @@ -38,6 +38,9 @@ keyword = {delay} or {every} or {check} or {include} or {exclude} or {page} or { N = max number of neighbors of one atom :pre {binsize} value = size size = bin size for neighbor list construction (distance units) :pre + {once} + {yes} = only build neighbor list once at start and never rebuild + {no} = rebuild neighbor list according to other settings :ule [Examples:] @@ -53,7 +56,7 @@ neigh_modify exclude molecule rigid :pre This command sets parameters that affect the building and use of pairwise neighbor lists. -The {every}, {delay}, and {check} options affect how often lists are +The {every}, {delay}, {check}, and {once} options affect how often lists are built as a simulation runs. The {delay} setting means never build a new list until at least N steps after the previous build. The {every} setting means build the list every M steps (after the delay has @@ -61,7 +64,8 @@ passed). If the {check} setting is {no}, the list is built on the 1st step that satisfies the {delay} and {every} settings. If the {check} setting is {yes}, then the list is only built on a particular step if some atom has moved more than half the skin distance (specified in the -"neighbor"_neighbor.html command) since the last build. +"neighbor"_neighbor.html command) since the last build. If the {build} +setting is yes, then the neighbor list is never rebuilt. When the rRESPA integrator is used (see the "run_style"_run_style.html command), the {every} and {delay} parameters refer to the longest @@ -150,5 +154,5 @@ space. [Default:] -The option defaults are delay = 10, every = 1, check = yes, include = -all, exclude = none, page = 100000, one = 2000, and binsize = 0.0. +The option defaults are delay = 10, every = 1, check = yes, once = no, +include = all, exclude = none, page = 100000, one = 2000, and binsize = 0.0.