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bug installing RMG on M3 chip following step by step instructions.
#2721
opened Oct 8, 2024 by
tripash30
Creation of surface species with charge separation more than one atom apart.
#2716
opened Sep 20, 2024 by
kirkbadger18
An AssertionError on Saving current model core to Chemkin file
#2714
opened Sep 12, 2024 by
Academics32
RMG Improvement Proposal [RIP]: Make
RMG-database
a SQL Database [COMMENTS WELCOME!]
Announcement
#2708
opened Aug 13, 2024 by
JacksonBurns
Model Resurrection has failed
bug
bug which will never be closed by the actions bot
#2697
opened Jul 28, 2024 by
NellyMitnik
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
UnboundLocalError: local variable 'optical_isomers' referenced before assignment
stale
stale issue/PR as determined by actions bot
#2690
opened Jul 10, 2024 by
wanufey
[Documentation] FAQ, Contributing Guidelines, Wiki
Good First Issue
Type: Documentation
#2686
opened Jun 23, 2024 by
JacksonBurns
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
RMG Improvement Proposal [RIP]: Make
ReactionMechanismSimulator.jl
Optional [COMMENTS WELCOME!]
Announcement
#2684
opened Jun 19, 2024 by
JacksonBurns
We should replace cantera.Species.fromCti() calls with cantera.Species.from_yaml() calls
Complexity: Low
Good First Issue
stale
stale issue/PR as determined by actions bot
Topic: Cantera
Type: Testing
#2676
opened Jun 10, 2024 by
rwest
2 tasks
Generating reactions for nitrobenzenes is very slow
stale
stale issue/PR as determined by actions bot
#2630
opened Mar 8, 2024 by
jonwzheng
Can't construct surface rmgpy.molecule.Molecule()
Topic: Catalysis
#2603
opened Feb 5, 2024 by
sevyharris
maximumEdgeSpecies
ignored if toleranceThermoKeepSpeciesInEdge
is not given
bug
#2575
opened Nov 14, 2023 by
PoojaNem
get_deterministic_sssr
is not really deterministic
bug
#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
Arkane takes a long time to run due to loading Julia dependencies
#2547
opened Sep 20, 2023 by
jonwzheng
yaml writer slows down execution
bug
bug which will never be closed by the actions bot
#2499
opened Jul 10, 2023 by
ChrisBNEU
Regression test model comparison tool attributes wrong reaction family?
bug
bug which will never be closed by the actions bot
#2492
opened Jun 23, 2023 by
rwest
Consistent Non-deterministic Behavior in Thermo (polycylic) and Kinetics (Peroxyl_Disproportionation)
bug
bug which will never be closed by the actions bot
#2490
opened Jun 22, 2023 by
rwest
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