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Pull requests: ReactionMechanismGenerator/RMG-Py

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Pull requests list

Fix rotational constants in Gaussian files listing ****s Arkane
#2761 opened Feb 13, 2025 by sevyharris Loading…
1
@sevyharris
3
Arkane: add check for iop(2/9=2000) in Gaussian load geometry
#2758 opened Feb 7, 2025 by sevyharris Loading…
1
2
fix juliacall implementation
#2754 opened Jan 25, 2025 by JacksonBurns Loading…
7
update cantera version to remove need for x86 emulation on arm mac
#2751 opened Jan 22, 2025 by JacksonBurns Loading…
1
4
Python 3.9
#2741 opened Dec 3, 2024 by JacksonBurns Loading…
2
3
Orca parser fixup
#2739 opened Dec 1, 2024 by kfir4444 Loading…
3
Fix Conda build workflow stale stale issue/PR as determined by actions bot
#2737 opened Nov 22, 2024 by ssun30 Loading…
4
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
4
Improve SMILES translation for surface adsorbates Topic: Catalysis
#2701 opened Aug 2, 2024 by rwest • Draft
6
Pdep spin conservation
#2688 opened Jun 27, 2024 by donerancl • Draft
15
Improve how large molecules are automatically cut during mechanism generation
#2660 opened May 14, 2024 by donerancl Loading…
52
Coverage-dependent thermochemistry for catalysis
#2646 opened Apr 1, 2024 by 12Chao Loading…
5
Fixing conda binary build via optional RMS install (dependent on #2631)
#2641 opened Mar 22, 2024 by JacksonBurns Loading…
@JacksonBurns
23
Make surface molecules from smiles using Argon workaround Topic: Catalysis
#2607 opened Feb 7, 2024 by sevyharris Loading…
1
@sevyharris
8
correct surface_site_density input attribute typo Complexity: Low
#2532 opened Aug 21, 2023 by sevyharris Loading…
1
13
Create YAML file outputs in RMG for use in Cantera
#2321 opened Jul 13, 2022 by Nora-Khalil • Draft
@Nora-Khalil
35
ProTip! no:milestone will show everything without a milestone.