Release notes

[v2.11.2] - 2026-03-02

Fixed

Metatomic SIGFPE with in-process libtorch

The built-in metatomic potential triggered SIGFPE: Invalid operation during libtorch forward/backward passes because eOn enables global FPE trapping at startup. Libtorch internals (SiLU via sleef, autograd intermediates) produce benign NaN/Inf that get trapped. The constructor and force() method now suppress FPE trapping for the duration of torch operations using FPEHandler, matching the pattern already used by ASE_ORCA, ASE_NWCHEM, and AtomicGPDimer.

Uncertainty threshold default too eager

uncertainty_threshold defaulted to 0.1 in both C++ and Python. Most models lack uncertainty outputs, so the default triggered a noisy exception+catch in the metatomic constructor for no benefit. The default is now -1 (disabled), making uncertainty checking opt-in.

IDimerRot column misalignment

The [IDimerRot] force column placeholder was 10 dashes but [Dimer] uses {:18.5e} (18 characters), shifting all subsequent columns left by 8 characters. Angle precision also differed ({:6.2f} vs {:6.3f}). The [Dimer] header was also missing a format specifier for the “Align” column.