[v2.16.0] - pending cutΒΆ

Post-v2.15.0 work on main, cut with the standard release flow (Release workflow). This page is authored before the version chore so the cut is not blocked on writing notes.

Highlights: the in-process RgpotPot potential (NWChem / CPMD through rgpot with dlopened engine libraries), a Davidson minimum-mode solver as a dimer/Lanczos alternative, the readcon-core 0.13 ConFileIO rework with force+energy co-loading, Metatomic output/determinism/rotation controls on the current metatomic-torch stack, PbcConvention for position wrapping, and a Morse force hot-path rework.

Release notes