Homec4science

USER-DPD: Process each AIR in the SSA without scanning the NeighList. Sorts…

Authored by Tim Mattox <timothy.mattox@engilitycorp.com> on Jul 14 2016, 22:37.

Description

USER-DPD: Process each AIR in the SSA without scanning the NeighList. Sorts each atom's neighbor list so ghosts are at the end and in AIR order. Added ndxAIR_ssa which indexes into the neighbor list per atom per AIR. Saves a few % in non-reactive scenario runtimes.

Details

Committed
Tim Mattox <timothy.mattox@engilitycorp.com>Jul 14 2016, 22:50
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPS691cb955068b: Save build time since only non-pure locals can have ghost neighbors.
Branches
Unknown
Tags
Unknown

Event Timeline

Tim Mattox <timothy.mattox@engilitycorp.com> committed rLAMMPSfbf361e478ce: USER-DPD: Process each AIR in the SSA without scanning the NeighList. Sorts… (authored by Tim Mattox <timothy.mattox@engilitycorp.com>).Jul 14 2016, 22:50