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Pull requests: ReactionMechanismGenerator/RMG-Py

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Pull requests list

WIP - Rebasing Python 3.9 Update
#2741 opened Dec 3, 2024 by JacksonBurns Loading…
1
2
Orca parser fixup
#2739 opened Dec 1, 2024 by kfir4444 Loading…
3
Fix Conda build workflow
#2737 opened Nov 22, 2024 by ssun30 Loading…
3
Add surface mechanisms to flux diagram tool Complexity: Low
#2727 opened Nov 8, 2024 by sevyharris Loading…
2
Draw Radicals on Groups
#2715 opened Sep 16, 2024 by mjohnson541 Loading…
2
Vd w bonds Complexity: Medium Status: WIP This is currently work-in-progress Topic: Catalysis
#2706 opened Aug 7, 2024 by bjkreitz • Draft
@bjkreitz
3
[Docs] Add CONTRIBUTING file with contributor guidelines
#2705 opened Aug 6, 2024 by jonwzheng • Draft
6
[Docs] Update outdated docs, wiki, and contributor guidelines
#2703 opened Aug 6, 2024 by jonwzheng • Draft
3 tasks done
10
Improve SMILES translation for surface adsorbates Topic: Catalysis
#2701 opened Aug 2, 2024 by rwest • Draft
5
Pdep spin conservation
#2688 opened Jun 27, 2024 by donerancl • Draft
15
[Python 3.9] Overhaul RMG-RMS Python-Julia dependencies (juliaup and pythoncall), Add Tests for Arkane Network Algorithms
#2687 opened Jun 27, 2024 by JacksonBurns • Draft
51
Improve how large molecules are automatically cut during mechanism generation
#2660 opened May 14, 2024 by donerancl Loading…
35
Coverage-dependent thermochemistry for catalysis
#2646 opened Apr 1, 2024 by 12Chao Loading…
4
Fixing conda binary build via optional RMS install (dependent on #2631)
#2641 opened Mar 22, 2024 by JacksonBurns Loading…
@JacksonBurns
20
Add libxrender1 as a system-level dependency in Unix-based installation instructions
#2620 opened Mar 1, 2024 by ntietje1 Loading…
15
Make surface molecules from smiles using Argon workaround Topic: Catalysis
#2607 opened Feb 7, 2024 by sevyharris Loading…
1
@sevyharris
7
correct surface_site_density input attribute typo Complexity: Low stale stale issue/PR as determined by actions bot
#2532 opened Aug 21, 2023 by sevyharris Loading…
1
9
adding resonance for adsorbates Complexity: Medium Topic: Catalysis
#2511 opened Jul 31, 2023 by bjkreitz Loading…
@alongd @bjkreitz
78
Allow disabling of RMS yaml writer for speedup
#2508 opened Jul 26, 2023 by ChrisBNEU Loading…
1
21
Create YAML file outputs in RMG for use in Cantera
#2321 opened Jul 13, 2022 by Nora-Khalil • Draft
@Nora-Khalil
35
ProTip! Exclude everything labeled bug with -label:bug.