Issues

• Arkane ORCA parser misclassifies oblique diatomic OH as a nonlinear rotor due to exact-zero inertia test

  ReactionMechanismGenerator/RMG-Py#3016 · Filter by author thequestfor opened on Oct 8, 2026

• Inconsistent standard state reference pressure (eg. for entropy calculations). 1 bar or 1 atm?

  ReactionMechanismGenerator/RMG-Py#3015 · Filter by author rwest opened on Oct 7, 2026

• to_smiles raises KeyError for N/S-containing adsorbates with vdW bonds

  ReactionMechanismGenerator/RMG-Py#3014 · Filter by author djlucey opened on Oct 6, 2026

• Security incident: compromised account force-pushed malware to RMG repositories (2026-09-06)

  ReactionMechanismGenerator/RMG-Py#3008 · Filter by author rwest opened on Sep 6, 2026
  2

• Mismatched conformer degrees of freedom pass silently through TST, then surface as a bare "Singular matrix" in the MSC solve

  ReactionMechanismGenerator/RMG-Py#3003 · Filter by author alongd opened on Aug 25, 2026

• Conda can't find pysidt-rmg[version='>=1.2'] to make new environment when installing

  ReactionMechanismGenerator/RMG-Py#2989 · Filter by author Torrie01 opened on Jul 21, 2026

• problems with svg images

  stale
  ReactionMechanismGenerator/RMG-Py#2985 · Filter by author sevyharris opened on Jun 25, 2026
  2

• singlet oxygen getting added to mechanism through decay operation

  bug
  ReactionMechanismGenerator/RMG-Py#2849 · Filter by author sevyharris opened on Sep 12, 2025
  3

  

• Only One Balance Species

  bugComplexity: LowGood First IssueType: Bug
  ReactionMechanismGenerator/RMG-Py#2755 · Filter by author mjohnson541 opened on Jan 31, 2025
  2

• Next Generation RMG Ideas (previously from Wiki)

  Announcement
  ReactionMechanismGenerator/RMG-Py#2731 · Filter by author jonwzheng opened on Nov 13, 2024
  4

• Model Resurrection has failed

  bug
  ReactionMechanismGenerator/RMG-Py#2697 · Filter by author NellyMitnik opened on Jul 28, 2024
  

• Need to fix PDep SA units in Arkane

  bugGood First Issue
  ReactionMechanismGenerator/RMG-Py#2692 · Filter by author alongd opened on Jul 18, 2024

• Change Input File Format from .py to .yaml

  ReactionMechanismGenerator/RMG-Py#2634 · Filter by author JacksonBurns opened on Mar 15, 2024
  15

  

• maximumEdgeSpecies ignored if toleranceThermoKeepSpeciesInEdge is not given

  bug
  ReactionMechanismGenerator/RMG-Py#2575 · Filter by author PoojaNem opened on Nov 14, 2023
  9

• Status Tracking: chemprop and ML Thermochemistry Prediction

  Announcement
  ReactionMechanismGenerator/RMG-Py#2559 · Filter by author JacksonBurns opened on Oct 17, 2023
  2

• yaml writer slows down execution

  bug
  ReactionMechanismGenerator/RMG-Py#2499 · Filter by author ChrisBNEU opened on Jul 10, 2023
  10

  

• Regression test model comparison tool attributes wrong reaction family?

  bug
  ReactionMechanismGenerator/RMG-Py#2492 · Filter by author rwest opened on Jun 23, 2023
  3

• Consistent Non-deterministic Behavior in Thermo (polycylic) and Kinetics (Peroxyl_Disproportionation)

  bug
  ReactionMechanismGenerator/RMG-Py#2490 · Filter by author rwest opened on Jun 22, 2023
  5

  

• RMG/Cantera compatibility for Plog reactions

  bug
  ReactionMechanismGenerator/RMG-Py#2428 · Filter by author ChrisBNEU opened on May 8, 2023
  3

• Non-deterministic choice between ring(Cyclopropene) and ring(oxirene) ?

  bug
  ReactionMechanismGenerator/RMG-Py#2010 · Filter by author rwest opened on Aug 19, 2020
  2

• Solution phase models might include PDep rates from libraries

  bug
  ReactionMechanismGenerator/RMG-Py#1872 · Filter by author alongd opened on Jan 20, 2020
  4

  

• Negative rate coefficient at 500 K in Klippenstein_Glarborg2016 library

  stale
  ReactionMechanismGenerator/RMG-Py#1654 · Filter by author ajuluc opened on Jul 17, 2019
  10

• Template rate estimation matching issue

  bugstale
  ReactionMechanismGenerator/RMG-Py#1560 · Filter by author mjohnson541 opened on Mar 7, 2019
  5