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Added once option to neigh_modify 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2595 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2009-02-17 18:50:26 +00:00
parent 121f55748c
commit 9b3cbcd858
1 changed files with 9 additions and 5 deletions
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14
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 {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.