ReactionMechanismGenerator/T3

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The Tandem Tool (T3) for automated chemical kinetic model development

Stars: 14
Forks: 7
Open beginner issues: 0
Indexed issues: 29
Avg merge: 22h 36m
Merged PRs (30d): 22

Dominant language: Python
License: MIT
Last GitHub push: Aug 30, 2026
Latest indexed: Sep 19, 2026
Contributing guide: No contributing guide
Code of conduct: Code of conduct
Beginner labels: good first issue

Beginner friendly Everything

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29 open issues indexed

PFR flux: surface (heterogeneous) reaction support is broken Open

Type: Bug

Difficulty 4/5 3-5 days Newbie friendliness 48/100

ReactionMechanismGenerator/T3#182 · Opened Aug 14, 2026
Feature: If a species was computed in a previous iteration, search for its Arkane YAML file Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#163 · Opened Jun 1, 2025
Save RMG files before restarting Open

Type: Feature

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/T3#158 · Opened Aug 14, 2024
T3 should (optionally) to determine RMG move to core tolerances on its own Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#137 · Opened Aug 15, 2023
T3 should use Arkane YAML files where possible Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 42/100

ReactionMechanismGenerator/T3#136 · Opened Jul 7, 2023
Auto-correct RMG termination criterion Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#124 · Opened May 13, 2023
Use species .yml files if already used in previous computations Open

Good first issue Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#100 · Opened Jan 28, 2023
Running PDep SA takes a long time Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 25/100

ReactionMechanismGenerator/T3#92 · 1 comment · Opened Dec 26, 2022
Consider SA when restarting Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#89 · Opened Dec 21, 2022
Allow setting the number of CPUs for an RMG run from the input file Open

Type: Feature

Difficulty 3/5 1-2 days Newbie friendliness 42/100

ReactionMechanismGenerator/T3#88 · Opened Dec 21, 2022
Report full SA Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#83 · Opened Sep 24, 2022
Compute high-P limit rate coefficients used for ILS in a PDep network Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#81 · Opened Aug 15, 2022
Cantera adapters expect T /P to be scalars and crash if they are lists Open

Type: Bug

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#77 · Opened Mar 13, 2022
Missing termination time in SA if not defined in the RMG reactor Open

Type: Bug

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/T3#76 · Opened Mar 13, 2022
Pulling the latest RMS with adjoint SA Open

Type: Feature

Difficulty 2/5 1-3 hours Newbie friendliness 35/100

ReactionMechanismGenerator/T3#67 · Opened Jan 18, 2021
Do compute thermo/kinetic data even if it is present in SOME libraries Open

Good first issue Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#66 · Opened Dec 16, 2020
make test: RuntimeWarning: divide by zero Open

Type: Bug

Difficulty 3/5 1-2 days Newbie friendliness 38/100

ReactionMechanismGenerator/T3#65 · Opened Dec 15, 2020
Allow specifying species concentrations in the reactors Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#59 · Opened Aug 12, 2020
Make T3 more robust w.r.t PDep ME solution Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#58 · Opened Aug 11, 2020
Allow Specification of an Initial Set of Reacts Open

Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#57 · Opened Aug 11, 2020
Report why species did not converge Open

Type: Feature

Difficulty 3/5 1-2 days Newbie friendliness 45/100

ReactionMechanismGenerator/T3#51 · Opened Aug 5, 2020
Consider several multiplicities when sending reactions to QM Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#45 · Opened Jul 12, 2020
Species should have a `concentration_range` attribute Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#33 · Opened Jun 19, 2020
Report iteration number next to unconverged species Open

Type: Feature

Difficulty 3/5 1-2 days Newbie friendliness 35/100

ReactionMechanismGenerator/T3#31 · Opened Jun 17, 2020
T3 should also store the final libs in the output folder Open

Type: Feature

ReactionMechanismGenerator/T3#30 · 2 comments · 1 assignee · Opened Jun 17, 2020
Feature: Should have an option to calc thermo of all species accesible in a flux diagram at a certain tolerance Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 35/100

ReactionMechanismGenerator/T3#20 · 2 comments · Opened Apr 30, 2020
Training reactions: Use reverse rate as well for training Open

Topic: RMG Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 25/100

ReactionMechanismGenerator/T3#17 · Opened Apr 22, 2020
Multiple thermo estimators Open

Type: Feature

Difficulty 5/5 Over a week Newbie friendliness 20/100

ReactionMechanismGenerator/T3#12 · 1 comment · Opened Apr 17, 2020
Splitting the environement file depending whether rmgpy is installed or not Open

Topic: RMG Type: Environment Type: Feature

Difficulty 4/5 3-5 days Newbie friendliness 28/100

ReactionMechanismGenerator/T3#11 · Opened Apr 3, 2020

ReactionMechanismGenerator/T3

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