Issues

• feat(server): add a mechanism to expose calculators

  TheochemUI/eOn#293 · Filter by author HaoZeke opened on Jan 27, 2026

• maint(neb): refactor and cleanup

  TheochemUI/eOn#285 · Filter by author HaoZeke opened on Dec 25, 2025

• chore(destructive): remove large blobs

  TheochemUI/eOn#275 · Filter by author HaoZeke opened on Dec 3, 2025

• MAINT: Port MMF-NEB-CI (RO-NEB-CI) to main

  TheochemUI/eOn#242 · Filter by author HaoZeke opened on Aug 14, 2025
  1

• MAINT: Parameters again

  TheochemUI/eOn#234 · Filter by author HaoZeke opened on Jul 31, 2025
  1

• DOC: Add ext_pot details

  TheochemUI/eOn#233 · Filter by author HaoZeke opened on Jul 31, 2025

• MAINT: Consider allcontributors

  TheochemUI/eOn#232 · Filter by author HaoZeke opened on Jul 31, 2025
  2

• ENH: Many more superbasin criteria

  TheochemUI/eOn#216 · Filter by author HaoZeke opened on Jul 9, 2025

• ENH: More tests with pixi

  TheochemUI/eOn#202 · Filter by author HaoZeke opened on Jun 14, 2025

• ENH: Dynamically modify the atoms for saddle searches in aKMC

  enhancementserver
  TheochemUI/eOn#198 · Filter by author HaoZeke opened on Apr 2, 2025

• MAINT: Foreshadow issues with current execution

  TheochemUI/eOn#197 · Filter by author HaoZeke opened on Mar 28, 2025

• BUG?: Double check the implementations of MRM and MFPT

  TheochemUI/eOn#196 · Filter by author HaoZeke opened on Mar 28, 2025
  1

• BUG: Handle global state better

  TheochemUI/eOn#191 · Filter by author HaoZeke opened on Oct 27, 2024

• ENH,BUG: Expose displacement mechanisms for dimer

  TheochemUI/eOn#189 · Filter by author HaoZeke opened on Oct 27, 2024
  2

• MAINT: Hard failure for non-centered molecular force fields

  TheochemUI/eOn#188 · Filter by author HaoZeke opened on Oct 26, 2024

• ENH: Generalize ASE potentials

  TheochemUI/eOn#186 · Filter by author HaoZeke opened on Oct 22, 2024

• MAINT: Add codespell

  TheochemUI/eOn#182 · Filter by author HaoZeke opened on Oct 19, 2024

• ENH: Formalize MPI interactions

  TheochemUI/eOn#180 · Filter by author HaoZeke opened on Aug 14, 2024
  1

• MAINT: Remove / rewrite unused EAM potential

  TheochemUI/eOn#172 · Filter by author HaoZeke opened on Aug 3, 2024

• BUG: Transient issues with getForces()

  TheochemUI/eOn#171 · Filter by author HaoZeke opened on Aug 3, 2024
  1

• ENH: Provide better serialization

  TheochemUI/eOn#168 · Filter by author HaoZeke opened on Aug 2, 2024

• ENH: Rework IMD Potential

  TheochemUI/eOn#166 · Filter by author HaoZeke opened on Jul 31, 2024

• ENH: Use an output formatter

  TheochemUI/eOn#156 · Filter by author HaoZeke opened on Jul 12, 2024
  1

• MAINT: Separate logging and output

  client
  TheochemUI/eOn#155 · Filter by author HaoZeke opened on Jul 12, 2024 · v3
  1

• BLD: Separate meson.build for Potentials

  TheochemUI/eOn#154 · Filter by author HaoZeke opened on Jul 12, 2024