Skip to content

Pull requests: ReactionMechanismGenerator/RMG-Py

New pull request New
27 Open 1,445 Closed
27 Open 1,445 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Draw Radicals on Groups
#2715 opened Sep 16, 2024 by mjohnson541 Loading…
[Docs] Update docs website with GitHub wiki info
#2707 opened Aug 12, 2024 by jonwzheng • Draft
3
Vd w bonds Complexity: Medium Status: WIP This is currently work-in-progress Topic: Catalysis
#2706 opened Aug 7, 2024 by bjkreitz • Draft
@bjkreitz
1
[Docs] Add CONTRIBUTING file with contributor guidelines
#2705 opened Aug 6, 2024 by jonwzheng • Draft
4
[Docs] Update outdated docs, wiki, and contributor guidelines
#2703 opened Aug 6, 2024 by jonwzheng • Draft
2 of 3 tasks
6
Improve SMILES translation for surface adsorbates Topic: Catalysis
#2701 opened Aug 2, 2024 by rwest • Draft
4
Add and improve to_cantera methods for conversion to in-memory Cantera objects
#2700 opened Aug 2, 2024 by rwest Loading…
1
Better drawing of poly-dentate adsorbates (with more than one surface site) Topic: Catalysis
#2698 opened Jul 30, 2024 by rwest Loading…
13
[Python 3.9] Reimplement Clar Optimization with Scipy MILP
#2694 opened Jul 24, 2024 by JacksonBurns • Draft
@xiaoruiDong
6
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
50
Fake PR to help diagnose minimal_surface regression test failures stale stale issue/PR as determined by actions bot
#2675 opened Jun 10, 2024 by sevyharris Loading…
1
Improve how large molecules are automatically cut during mechanism generation
#2660 opened May 14, 2024 by donerancl Loading…
32
Coverage-dependent thermochemistry for catalysis
#2646 opened Apr 1, 2024 by 12Chao Loading…
3
Fixing conda binary build via optional RMS install (dependent on #2631)
#2641 opened Mar 22, 2024 by JacksonBurns Loading…
@JacksonBurns
20
Avoid Unnecessary Julia Operations + Optional RMS Installation
#2631 opened Mar 11, 2024 by JacksonBurns Loading…
1
@JacksonBurns
48
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
3
Added a species constraint for the max number of rings fused together
#2606 opened Feb 7, 2024 by alongd Loading…
7
Reconciling Electrochem Branch with main
#2598 opened Feb 1, 2024 by JacksonBurns • Draft
@JacksonBurns
10
Add to_cantera_kinetics for SurfaceArrhenius and StickingCoefficient kinetics classes
#2597 opened Jan 29, 2024 by sevyharris Loading…
1
@sevyharris
5
correct surface_site_density input attribute typo Complexity: Low
#2532 opened Aug 21, 2023 by sevyharris Loading…
1
8
adding resonance for adsorbates Complexity: Medium Topic: Catalysis
#2511 opened Jul 31, 2023 by bjkreitz Loading…
@alongd @bjkreitz
45
Allow disabling of RMS yaml writer for speedup
#2508 opened Jul 26, 2023 by ChrisBNEU Loading…
1
21
Added Boron into element and atom types stale stale issue/PR as determined by actions bot
#2383 opened Mar 2, 2023 by ssun30 Loading…
1
7
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.