eOn 3.2.1

A patch on v3.2.0. See monorepo CHANGELOG.md section 3.2.1 for the fragment list.

IDPP honors frozen atoms

IDPP, collective IDPP, and SIDPP no longer write the full 3N vector. Frozen sites next to a mover stay put.

pyeonclient optimizer

Parameters exposes opt_method, neb_opt_method, refine_opt_method, and refine_threshold.

rgpot 3.2

Wrap pin is v3.2.0. potential = dftd3 / dftd4, potential = expr with [ExprPot] terms (0.5*lj + d3), and potential = mopac (libmopacc, default AM1). D3/D4 wraps stay off on Windows, where MSVC rustc rejects those wrap flags.

Geometry (minimage / linkcell)

eon.geometry.pbc uses minimage when that extra is installed. neighbor_list stays vesin. neighbor_list_linkcell is the check path against linkcell.knearest. See Neighbor lists.

ASE / Matter python surface

from_ase sets PBC before wrapping. Only FixAtoms fully freeze. setCell / setForces dirty caches. Positions views are not writeable in place. to_ase attaches SinglePoint energy/forces. NEB keeps the GIL when the pot is not thread-safe.