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30 Open 1,160 Closed
30 Open 1,160 Closed
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Issues list

Arkane.py: IndexError: list index out of range
#2664 opened May 23, 2024 by liqiang4567
1 task
9
Output which frequencies are removed for hindered rotors?
#2654 opened Apr 27, 2024 by cassguff
2
InvalidMicrocanonicalRateError
#2652 opened Apr 18, 2024 by PoojaNem
Error Running Arkane with Gaussian Output Files
#2650 opened Apr 11, 2024 by OJ-0908
2
ValueError:invalid literal for int() with base 10: '\n'
#2637 opened Mar 16, 2024 by liqiang4567
Change Input File Format from .py to .yaml
#2634 opened Mar 15, 2024 by JacksonBurns
@jonwzheng @JacksonBurns
1
Native YAML writer
#2633 opened Mar 15, 2024 by rwest
3
Generating reactions for nitrobenzenes is very slow
#2630 opened Mar 8, 2024 by jonwzheng
13
Species labeling in the output doesn't work properly
#2627 opened Mar 7, 2024 by bjkreitz
2
Updating RMG-Py Type: Documentation
#2626 opened Mar 6, 2024 by kirkbadger18
4
Species in core is isomorphic to species in the edge stale stale issue/PR as determined by actions bot
#2616 opened Feb 28, 2024 by PoojaNem
3
Using python-jl for Jupyter Notebook stale stale issue/PR as determined by actions bot
#2613 opened Feb 20, 2024 by calvinp0
2
Change CI to use download-artifact@v4 stale stale issue/PR as determined by actions bot
#2611 opened Feb 13, 2024 by JacksonBurns
2
Can't construct surface rmgpy.molecule.Molecule() stale stale issue/PR as determined by actions bot Topic: Catalysis
#2603 opened Feb 5, 2024 by sevyharris
1
@sevyharris
3
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
Potential Bug in Critical Pressure Estimation bug bug which will never be closed by the actions bot
#2569 opened Oct 30, 2023 by mjohnson541
2
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
Arkane takes a long time to run due to loading Julia dependencies
#2547 opened Sep 20, 2023 by jonwzheng
1
4
typo prevents writing input files Complexity: Low
#2531 opened Aug 21, 2023 by sevyharris
1
@sevyharris
1
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
Rebuild Python pydas and pydqed for Python 3.11 Python 3.11 Transition PRs and Issues related to transitioning from Python 3.7 to 3.11
#2460 opened Jun 7, 2023 by JacksonBurns
@JacksonBurns
4
RMG/Cantera compatibility for Plog reactions bug bug which will never be closed by the actions bot
#2428 opened May 8, 2023 by ChrisBNEU
3
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