Commit 23f6f5ea authored by Stan Moore's avatar Stan Moore
Browse files

Change description of bbox keyword in replicate.txt

parent 7bfa3acd
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+6 −5
Original line number Diff line number Diff line
@@ -14,7 +14,7 @@ replicate nx ny nz {keyword} :pre

nx,ny,nz = replication factors in each dimension :ulb
optional {keyword} = {bbox} :l
  {bbox} = restrict processors used in communicating replicated atoms :ule
  {bbox} = only check atoms in replicas that overlap with a processor's subdomain :ule

[Examples:]

@@ -45,10 +45,11 @@ 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} allows to restrict the number of processors
used in the communication of the replicated atoms, 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 subdomain 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.

[Restrictions:]