Masking vs Gathering + tuning

Open SteffenSeckler opened this issue 5 years ago • 1 comments

Is your feature request related to a problem? Please describe. For very complicated force calculations, using a mask for distances outside of the cutoff is no longer feasible. Instead, gathering and scattering are better. Currently, we always use masks.

Describe the solution you'd like Ideally, this would be tunable...

Describe alternatives you've considered Simply implement a gather + scatter.

Additional context This will only be feasible AFTER a kokkos integration, or similar.

Oct 12 '20 11:10 SteffenSeckler

Currently a work in process.

Will be done before GPU support (hopefully).

Tunablitity should be done externally to AutoPas.

Apr 18 '24 18:04 SamNewcome