[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