Issues

• KeyError in save_project_info_file when IRC endpoints do not match the wells

  ReactionMechanismGenerator/ARC#1067 · Filter by author kfir4444 opened on Oct 5, 2026

• deduce_method_type() substring-matches 'am' inside 'cam-b3lyp': every CAM functional types as semi-empirical

  ReactionMechanismGenerator/ARC#1049 · Filter by author alongd opened on Sep 8, 2026

• Reaction multiplicity silently resolves to 1 when species are attached after first access

  ReactionMechanismGenerator/ARC#1048 · Filter by author kfir4444 opened on Sep 7, 2026

• Linear adapter returns no guess for one requested atom map, and reports success anyway

  ReactionMechanismGenerator/ARC#1045 · Filter by author kfir4444 opened on Sep 7, 2026

• Reaction label is not validated when reactants/products are given, causing a late IndexError in flip_reaction

  ReactionMechanismGenerator/ARC#1043 · Filter by author kfir4444 opened on Sep 7, 2026

• LinearAdapter silently ignores a pre-set atom map, returning identical TS guesses for different maps

  ReactionMechanismGenerator/ARC#1042 · Filter by author kfir4444 opened on Sep 7, 2026

• deduce_method_type substring-matches 'am' inside 'cam', so CAM-B3LYP types as semiempirical and open-shell species run restricted

  ReactionMechanismGenerator/ARC#1033 · Filter by author alongd opened on Aug 31, 2026

• NMD check rejects a likely-correct late H_Abstraction TS, and deletes the IRC jobs that would adjudicate it

  ReactionMechanismGenerator/ARC#1002 · Filter by author alongd opened on Aug 19, 2026

• Level: unify the 'does this level carry meaningful args?' predicate between __str__ and as_dict()

  ReactionMechanismGenerator/ARC#987 · Filter by author alongd opened on Aug 15, 2026

• Brute-force directed scans optimize freely at every point (Scheduler.run_job passes constraints=None) — flat V(φ)

  ReactionMechanismGenerator/ARC#986 · Filter by author alongd opened on Aug 15, 2026

• Flaky: test_initialize_output_dict fails intermittently under xdist (order-dependent)

  ReactionMechanismGenerator/ARC#984 · Filter by author alongd opened on Aug 14, 2026

• Local pipe: concurrent arrays oversubscribe the CPU budget (stateless local_worker_limit)

  ReactionMechanismGenerator/ARC#961 · Filter by author alongd opened on Aug 11, 2026

• improved trsh

  Type: Feature
  ReactionMechanismGenerator/ARC#933 · Filter by author alongd opened on Jul 28, 2026
  1

• Extend arc/settings/settings_test.py to cover all external adapters

  ReactionMechanismGenerator/ARC#929 · Filter by author alongd opened on Jul 27, 2026

• Fix LOT syntax automatically

  Type: Feature
  ReactionMechanismGenerator/ARC#922 · Filter by author alongd opened on Jul 24, 2026

• Proposal: Splitting CI pipelines into PR and Nightly workflows to accelerate development

  dependenciesgithub_actionsType: Feature
  ReactionMechanismGenerator/ARC#916 · Filter by author kfir4444 opened on Jul 20, 2026
  2

• xtb-python to tblite

  Type: Feature
  ReactionMechanismGenerator/ARC#899 · Filter by author kfir4444 opened on Jun 14, 2026

• Identify proper LOT format by software

  Type: Feature
  ReactionMechanismGenerator/ARC#896 · Filter by author alongd opened on Jun 8, 2026

• Not recognising family since 3.12 update

  Type: Bug
  ReactionMechanismGenerator/ARC#813 · Filter by author calvinp0 opened on Jan 5, 2026
  2

• Issue with deremining reaction family under the new functionality

  Type: Bug
  ReactionMechanismGenerator/ARC#787 · Filter by author kfir4444 opened on Apr 23, 2025
  2

• Mismatch in Angles After Z-matrix to XYZ Conversion in zmat_to_xyz

  Type: Bug
  ReactionMechanismGenerator/ARC#779 · Filter by author LeenFahoum opened on Dec 26, 2024
  4

  

• ARC's troubleshooting: Orca's mdci error

  Type: Bug
  ReactionMechanismGenerator/ARC#769 · Filter by author NellyMitnik opened on Nov 9, 2024
  1

  

• How to use ARC only on PC without clustering software?

  Type: Question
  ReactionMechanismGenerator/ARC#742 · Filter by author OJ-0908 opened on May 11, 2024
  5

• trsh: scan_qualitiy_check

  Type: Bug
  ReactionMechanismGenerator/ARC#741 · Filter by author NellyMitnik opened on May 7, 2024

• parse_frequencies doesn't parse imaginary frequencies correctly.

  Good first issueModule: ParserType: Bug
  ReactionMechanismGenerator/ARC#739 · Filter by author kfir4444 opened on Apr 27, 2024