You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Browse filesBrowse the repository at this point in the historyBrowse files
Han Wang
committed
fix(pt_expt): bridging is a composition, so standard must reject it
get_standard_model honored `bridging_method` and returned a
LinearEnergyModel -- the type asked for was not the type returned. It also
made a second owner of the bridging build, and the two owners had already
drifted: get_sezm_model promotes descriptor.exclude_types to model-level
pair_exclude_types and this one never did, changing a 0.9 A Ni-O dimer by
79.97 eV (max |dF| 318.48 eV/A).
Reject `bridging_method` in the standard builder instead. Rejecting rather
than ignoring keeps the original fail-loud property: silently dropping the
term yields a physically different model than the config requests. DPA4
(`type: "dpa4"`/`"sezm"`) is now the single bridging owner in this backend.
The route was unreachable from a validated input.json anyway -- argcheck
declares `bridging_method` only under the dpa4/sezm variant -- so no
supported configuration changes behavior.
Follow-ups: deepmodeling#5947 (drop the exclusion promotion), deepmodeling#5948 (express bridging
as an explicit linear_ener composition, after which the restriction is
moot).
0 commit comments