keyword = delay or every or check or include or exclude or page or one or binsize
+keyword = delay or every or check or once 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
@@ -25,6 +25,9 @@
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
+ once
+ yes = only build neighbor list once at start of run and never rebuild
+ no = rebuild neighbor list according to other settings
include value = group-ID
group-ID = only build pair neighbor lists for atoms in this group
exclude values:
@@ -59,15 +62,21 @@ neigh_modify exclude molecule rigid
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
-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
-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 command) since the last build.
+
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 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 command) since the last
+build. If the once setting is yes, then the neighbor list is only
+built once at the beginning of each run, and never rebuilt. This
+should only be done if you are certain atoms will not move far enough
+that the list should be rebuilt. E.g. running a simulation of a cold
+crystal. Note that it is not that expensive to check if neighbor
+lists should be rebuilt.
When the rRESPA integrator is used (see the run_style
command), the every and delay parameters refer to the longest
@@ -156,7 +165,7 @@ 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.