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fix formatting and augment explanation for bbox option

This commit is contained in:
Steve Plimpton 2019-08-05 17:21:11 -06:00
parent 25b504d4fd
commit 2d64323354
1 changed files with 9 additions and 6 deletions
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15
doc/src/replicate.txt
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@ -14,7 +14,8 @@ replicate nx ny nz {keyword} :pre
nx,ny,nz = replication factors in each dimension :ulb
optional {keyword} = {bbox} :l
{bbox} = only check atoms in replicas that overlap with a processor's sub-domain :ule
{bbox} = only check atoms in replicas that overlap with a processor's sub-domain :pre
:ule
[Examples:]
@ -45,11 +46,13 @@ file that crosses a periodic boundary should be between two atoms with
image flags that differ by 1. This will allow the bond to be
unwrapped appropriately.
The optional keyword {bbox} uses a bounding box to only check atoms
in replicas that overlap with a processor's sub-domain when assigning
atoms to processors, and thus can result in substantial speedups for
calculations using a large number of processors. It does require
temporarily using more memory.
The optional keyword {bbox} uses a bounding box to only check atoms in
replicas that overlap with a processor's sub-domain when assigning
atoms to processors. It typically results in a substantial speedup
when using the replicate command on a large number of processors. It
does require temporary use of more memory, specifically that each
processor can store all atoms in the entire system before it is
replicated.
[Restrictions:]