--- myst: html_meta: "description": "Detailed release notes for eOn v2.8.1, covering new features, enhancements, build system improvements, and documentation updates." "keywords": "eOn v2.8.1 release notes, new features, enhancements, bug fixes" --- # Release notes ## [v2.8.1] - 2025-11-03 This release primarily includes bug fixes for Nudged Elastic Band (NEB) calculations and updates major dependencies, most notably PyTorch. ### ✨ New Features * **NEB Endpoint Minimization:** Added a new parameter, `minimize_endpoints_for_ipath` (`nebMinimEPIpath`), to allow for endpoint minimization even when a full initial path is provided via `initial_path_in`. * **Metatomic Potential:** Updated to use the newer `metatomic_torch::pick_device` API for device selection. ### 🐛 Bug Fixes * **NEB:** Fixed an issue where `neb.dat` could be incorrectly overwritten. The final `neb.dat` file is now generated separately from intermediate iteration files (e.g., `neb_000.dat`). * **NEB:** Prevented zero projected forces from being reported in `NudgedElasticBandJob` results, ensuring more robust output. * **NEB:** The search for the highest energy image now correctly iterates over intermediate images only. * **Matching:** Fixed a bug in the `helper_functions::identical` by correcting a loop boundary condition to avoid iterating past the number of atoms.