Skip to content

Pull requests: ReactionMechanismGenerator/RMG-database

New pull request New
39 Open 475 Closed
39 Open 475 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

Require birad_r_recombination to be between a doublet and triplet
#662 opened Aug 15, 2024 by donerancl • Draft
9
Remove duplicate reaction family Complexity: Low Topic: Catalysis
#656 opened Jun 28, 2024 by bjkreitz Loading…
@bjkreitz
3
Remove reaction path degeneracy adjustments in surface families Complexity: Low Topic: Catalysis
#655 opened Jun 25, 2024 by bjkreitz Loading…
1
@bjkreitz
11
Corrected CH2 & CH2* species for reactions in JetSurF2.0
#650 opened May 21, 2024 by PoojaNem Loading…
1
1
Adding Fluoromethane chemistry to RMG kinetic database
#624 opened Jun 15, 2023 by SiddhaSharma Loading…
8
Add AEC/BAC for dlpno-ccsd(t)/def2svp//wb97xd/def2svp
#606 opened Feb 5, 2023 by oscarwumit • Draft
1
Lithium
#605 opened Jan 10, 2023 by mjohnson541 Loading…
8
Added BACs data from PR #421
#603 opened Jan 2, 2023 by alongd Loading…
4
Disprop ATG Topic: Tree Gen
#593 opened Sep 8, 2022 by kspieks Loading…
@kspieks
ATG R Addition MultipleBond
#585 opened May 19, 2022 by kspieks Loading…
@kspieks
4
ATG for Intra RH Add Endocyclic family Topic: Kinetics
#578 opened Apr 26, 2022 by kspieks Loading…
@kspieks
Adding halogens to default families
#562 opened Jan 17, 2022 by davidfarinajr Loading…
Halogen kinetics update
#549 opened Nov 20, 2021 by davidfarinajr Loading…
2
Generated tree for Birad_R_Recombination
#519 opened Aug 23, 2021 by sevyharris Loading…
1
Halogen training reactions
#515 opened Jul 28, 2021 by davidfarinajr Loading…
15
Adding surface training reactions Topic: Catalysis
#512 opened Jul 23, 2021 by Tingchenlee Loading…
@Tingchenlee
13
WIP - Cathub kinetics Status: WIP Topic: Catalysis Topic: Kinetics Twin RMG-Py PR
#499 opened Jun 23, 2021 by davidfarinajr Loading…
3
Tree gen SubstitutionS
#495 opened Jun 14, 2021 by ChrisBNEU Loading…
2
Tree generation for intra_H_migration
#491 opened Jun 14, 2021 by mjohnson541 Loading…
Tree Generation for Cyclic Ether Formation Status: Review Needed
#487 opened Jun 7, 2021 by xiaoruiDong Loading…
@xiaoruiDong
6
Tree fitting for several rxn families
#485 opened Jun 7, 2021 by yunsiechung Loading…
Add new training reactions to Cyclic_Ether_Formation
#480 opened May 14, 2021 by xiaoruiDong Loading…
Jeehyun 060220/Tranter et al 2010 phenyl radical recombination kinetic database
#425 opened Jun 2, 2020 by jeehyunatrmg Loading…
New BACs and new data for reference species Status: Review Needed
#421 opened May 25, 2020 by cgrambow Loading…
1
Add new fitted atom energies Status: Review Needed
#418 opened May 21, 2020 by cgrambow Loading…
@cgrambow
ProTip! Mix and match filters to narrow down what you’re looking for.