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Pull requests: ReactionMechanismGenerator/RMG-Py

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21 Open 1,533 Closed
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Pull requests list

Add CanteraWriter
#2870 opened Jan 9, 2026 by alongd Loading…
Added a species constraint for the max number of rings fused together (revived)
#2868 opened Dec 12, 2025 by alongd Loading…
3
Correct constant-species index mapping in SimpleReactor
#2867 opened Dec 11, 2025 by alongd Loading…
7
Update Physical Constants and Corresponding Unit Tests
#2866 opened Dec 5, 2025 by ttpekkan Loading…
1
3
Modify node regularization in kinetic families.
#2856 opened Nov 13, 2025 by Nora-Khalil Loading…
10
Added completedNetworks option to prevent exploring PDep networks that are complete.
#2853 opened Oct 19, 2025 by rwest • Draft
3 tasks
3
Add yaml input file support
#2844 opened Aug 20, 2025 by vincthnngyn Loading…
10
Merging Anna's changes from 'Pdep spin 39' to the main RMG branch
#2837 opened Jul 23, 2025 by akshatzalte • Draft
11
Fix E0 energy_correction in pressure dependence calculations.
#2835 opened Jul 18, 2025 by rwest Loading…
3
Add environment validation and error handling to RMS installation script
#2828 opened Jul 11, 2025 by ssun30 Loading…
17
Fix broken examples
#2824 opened Jul 8, 2025 by jonwzheng Loading…
32 of 38 tasks
17
Update Jupyter notebooks and associated codebase [RMG-Py]
#2815 opened Jun 30, 2025 by jonwzheng Loading…
12 of 13 tasks
15
Refactored reaction.py to add get_free_energy_of_non_charge_transfer_reaction for code reuse and circular dependency prevention
#2810 opened Jun 17, 2025 by LekiaAnonim Loading…
17
Add T-Dependent and ML Options for Solvation Corrections stale stale issue/PR as determined by actions bot
#2798 opened May 28, 2025 by BonhyeokKoo • Draft
4
Use rdkit for SSSR and RCs (bug fix + Python upgrade)
#2796 opened May 25, 2025 by JacksonBurns Loading…
1
@jonwzheng
64
Modifying input.py in Arkane so it can read network.py files that hav…
#2778 opened Apr 3, 2025 by Nora-Khalil Loading…
4
Arkane: add check for iop(2/9=2000) in Gaussian load geometry stale stale issue/PR as determined by actions bot
#2758 opened Feb 7, 2025 by sevyharris Loading…
1
6
Add surface mechanisms to flux diagram tool stale stale issue/PR as determined by actions bot
#2727 opened Nov 8, 2024 by sevyharris Loading…
7
Vd w bonds Complexity: Medium Status: WIP This is currently work-in-progress Topic: Catalysis
#2706 opened Aug 7, 2024 by bjkreitz • Draft
@bjkreitz
10
Coverage-dependent thermochemistry for catalysis Topic: Catalysis
#2646 opened Apr 1, 2024 by 12Chao Loading…
@rwest @bjkreitz
20
correct surface_site_density input attribute typo stale stale issue/PR as determined by actions bot Status: WIP This is currently work-in-progress
#2532 opened Aug 21, 2023 by sevyharris Loading…
1
17
ProTip! Exclude everything labeled bug with -label:bug.