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Merge pull request #1620 from lammps/replicate 

fix formatting and augment explanation for bbox option
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Axel Kohlmeyer 2019-08-06 10:12:19 -04:00 committed by GitHub
parent 25b504d4fd 2d64323354
commit c820c92225
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1 changed files with 9 additions and 6 deletions
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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 nx,ny,nz = replication factors in each dimension :ulb
optional {keyword} = {bbox} :l 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:] [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 image flags that differ by 1. This will allow the bond to be
unwrapped appropriately. unwrapped appropriately.
The optional keyword {bbox} uses a bounding box to only check atoms The optional keyword {bbox} uses a bounding box to only check atoms in
in replicas that overlap with a processor's sub-domain when assigning replicas that overlap with a processor's sub-domain when assigning
atoms to processors, and thus can result in substantial speedups for atoms to processors. It typically results in a substantial speedup
calculations using a large number of processors. It does require when using the replicate command on a large number of processors. It
temporarily using more memory. does require temporary use of more memory, specifically that each
processor can store all atoms in the entire system before it is
replicated.
[Restrictions:] [Restrictions:]