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31 Open 1,172 Closed
31 Open 1,172 Closed
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Issues list

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
UnboundLocalError: local variable 'optical_isomers' referenced before assignment
#2690 opened Jul 10, 2024 by wanufey
1
[Documentation] FAQ, Contributing Guidelines, Wiki Good First Issue Type: Documentation
#2686 opened Jun 23, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
2
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
Cannot import Cython packages when using Docker container in Charliecloud
#2677 opened Jun 10, 2024 by cassguff
1
We should replace cantera.Species.fromCti() calls with cantera.Species.from_yaml() calls Complexity: Low Good First Issue Topic: Cantera Type: Testing
#2676 opened Jun 10, 2024 by rwest
2 tasks
2
arkane unable to infer molecular weights with pdep stale stale issue/PR as determined by actions bot
#2664 opened May 23, 2024 by liqiang4567
1 task
11
Output which frequencies are removed for hindered rotors?
#2654 opened Apr 27, 2024 by cassguff
4
InvalidMicrocanonicalRateError stale stale issue/PR as determined by actions bot
#2652 opened Apr 18, 2024 by PoojaNem
2
ValueError:invalid literal for int() with base 10: '\n'
#2637 opened Mar 16, 2024 by liqiang4567
1
Change Input File Format from .py to .yaml
#2634 opened Mar 15, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
2
Native YAML writer
#2633 opened Mar 15, 2024 by rwest
4
Generating reactions for nitrobenzenes is very slow
#2630 opened Mar 8, 2024 by jonwzheng
17
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
6
typo prevents writing input files Complexity: Low
#2531 opened Aug 21, 2023 by sevyharris
1
@sevyharris
3
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
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
3
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
@xiaoruiDong
5
ProTip! What’s not been updated in a month: updated:<2024-08-06.