Berk Hess authored Oct 04, 2024 and Mark Abraham committed Oct 04, 2024

Enable adding filler particles to the local state such that the local atom order matches the NBNxM coordinate order. This speeds up buffer copies and will enable simple direct halo exchange for the domain decomposition. Currently adding filling particles is only enabled with DD atom ordering with a single DD rank.

The tolerances of the free-energy tests needed a slight increase for double precision, because the addition of filler particles gives different simulation rounding errors and thereby quicker divergence of simulations.

Refs #5068