[v2.8.1] - 2025-11-03

A quick bugfix release that addresses issues in Nudged Elastic Band (NEB) calculations, including endpoint handling and potential floating-point errors.

This release also updates key dependencies, including bumping PyTorch to v2.8 and updating to newer metatomic and vesin APIs.

Contents

• Release notes
  • [v2.8.1] - 2025-11-03
• Related Publications
  • Jónsson Group
  • Lab-COSMO
  • References