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33 Open 1,182 Closed
33 Open 1,182 Closed
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Issues list

Github Actions: upgrade artifact actions from v3 to v4
#2732 opened Nov 16, 2024 by rwest
Next Generation RMG Ideas (previously from Wiki)
#2731 opened Nov 13, 2024 by jonwzheng
8 tasks
Juliaup interferes with PATH preventing python-jl from using rmg_env conda environment.
#2730 opened Nov 13, 2024 by djlucey
2
Collision rate violation detected in reverse direction for irreversible reaction
#2728 opened Nov 11, 2024 by PoojaNem
Barrier heights not fixed for linear scaling of libraries Topic: Catalysis
#2726 opened Oct 31, 2024 by sevyharris
@sevyharris
Problem with Singlet_Carbene_Intra_Disproportionation
#2725 opened Oct 29, 2024 by JLans
4
bug installing RMG on M3 chip following step by step instructions.
#2721 opened Oct 8, 2024 by tripash30
5
Creation of surface species with charge separation more than one atom apart.
#2716 opened Sep 20, 2024 by kirkbadger18
1
2
An AssertionError on Saving current model core to Chemkin file
#2714 opened Sep 12, 2024 by Academics32
2
DatabaseError with Thermo Parameters for F
#2713 opened Sep 11, 2024 by studies9
9
RMG Improvement Proposal [RIP]: Make RMG-database a SQL Database [COMMENTS WELCOME!] Announcement
#2708 opened Aug 13, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
4
Model Resurrection has failed bug bug which will never be closed by the actions bot
#2697 opened Jul 28, 2024 by NellyMitnik
@alongd
Need to fix PDep SA units in Arkane bug bug which will never be closed by the actions bot Good First Issue
#2692 opened Jul 18, 2024 by alongd
[Documentation] FAQ, Contributing Guidelines, Wiki Good First Issue Type: Documentation
#2686 opened Jun 23, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
4
RMG fails to generate reactions for fragments when > 1 processes are used bug bug which will never be closed by the actions bot
#2685 opened Jun 21, 2024 by donerancl
@JacksonBurns @donerancl
1
RMG Improvement Proposal [RIP]: Make ReactionMechanismSimulator.jl Optional [COMMENTS WELCOME!] Announcement
#2684 opened Jun 19, 2024 by JacksonBurns
10
Output which frequencies are removed for hindered rotors? stale stale issue/PR as determined by actions bot
#2654 opened Apr 27, 2024 by cassguff
5
Change Input File Format from .py to .yaml
#2634 opened Mar 15, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
4
Can't construct surface rmgpy.molecule.Molecule() Topic: Catalysis
#2603 opened Feb 5, 2024 by sevyharris
1
@sevyharris
4
maximumEdgeSpecies ignored if toleranceThermoKeepSpeciesInEdge is not given bug bug which will never be closed by the actions bot
#2575 opened Nov 14, 2023 by PoojaNem
9
get_deterministic_sssr is not really deterministic bug bug which will never be closed by the actions bot Complexity: High Priority: Low Topic: Thermo
#2562 opened Oct 24, 2023 by xiaoruiDong
Status Tracking: chemprop and ML Thermochemistry Prediction Announcement
#2559 opened Oct 17, 2023 by JacksonBurns
1 task done
1
Arkane takes a long time to run due to loading Julia dependencies
#2547 opened Sep 20, 2023 by jonwzheng
1
8
typo prevents writing input files Complexity: Low
#2531 opened Aug 21, 2023 by sevyharris
1
@sevyharris
4
yaml writer slows down execution bug bug which will never be closed by the actions bot
#2499 opened Jul 10, 2023 by ChrisBNEU
1
@ChrisBNEU
10
ProTip! Exclude everything labeled bug with -label:bug.