-
Notifications
You must be signed in to change notification settings - Fork 6
Issues: ReactionMechanismGenerator/T3
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
Save RMG files before restarting
Type: Feature
#158
opened Aug 14, 2024 by
NellyMitnik
updated Aug 14, 2024
T3 should (optionally) to determine RMG move to core tolerances on its own
Type: Feature
#137
opened Aug 15, 2023 by
alongd
updated Aug 15, 2023
T3 should use Arkane YAML files where possible
Type: Feature
#136
opened Jul 7, 2023 by
alongd
updated Jul 7, 2023
Auto-correct RMG termination criterion
Type: Feature
#124
opened May 13, 2023 by
alongd
updated May 13, 2023
Running PDep SA takes a long time
Type: Feature
#92
opened Dec 26, 2022 by
alongd
updated Apr 22, 2023
Use species .yml files if already used in previous computations
Good first issue
Type: Feature
#100
opened Jan 28, 2023 by
alongd
updated Jan 28, 2023
Allow setting the number of CPUs for an RMG run from the input file
Type: Feature
#88
opened Dec 21, 2022 by
alongd
updated Dec 21, 2022
Compute high-P limit rate coefficients used for ILS in a PDep network
Type: Feature
#81
opened Aug 15, 2022 by
alongd
updated Aug 15, 2022
Cantera adapters expect T /P to be scalars and crash if they are lists
Type: Bug
#77
opened Mar 13, 2022 by
alongd
updated Mar 13, 2022
Missing termination time in SA if not defined in the RMG reactor
Type: Bug
#76
opened Mar 13, 2022 by
alongd
updated Mar 13, 2022
Pulling the latest RMS with adjoint SA
Type: Feature
#67
opened Jan 18, 2021 by
kspieks
updated Jan 18, 2021
T3 should also store the final libs in the output folder
Type: Feature
#30
opened Jun 17, 2020 by
alongd
updated Jan 13, 2021
Do compute thermo/kinetic data even if it is present in SOME libraries
Good first issue
Type: Feature
#66
opened Dec 16, 2020 by
alongd
updated Dec 17, 2020
make test: RuntimeWarning: divide by zero
Type: Bug
#65
opened Dec 15, 2020 by
mefuller
updated Dec 15, 2020
Allow specifying species concentrations in the reactors
Type: Feature
#59
opened Aug 12, 2020 by
alongd
updated Aug 12, 2020
Make T3 more robust w.r.t PDep ME solution
Type: Feature
#58
opened Aug 11, 2020 by
alongd
updated Aug 11, 2020
Allow Specification of an Initial Set of Reacts
Type: Feature
#57
opened Aug 11, 2020 by
alongd
updated Aug 11, 2020
Report why species did not converge
Type: Feature
#51
opened Aug 5, 2020 by
alongd
updated Aug 5, 2020
Consider several multiplicities when sending reactions to QM
Type: Feature
#45
opened Jul 12, 2020 by
alongd
updated Jul 12, 2020
Species should have a
concentration_range
attribute
Type: Feature
#33
opened Jun 19, 2020 by
alongd
updated Jun 19, 2020
Report iteration number next to unconverged species
Type: Feature
#31
opened Jun 17, 2020 by
alongd
updated Jun 17, 2020
Feature: Should have an option to calc thermo of all species accesible in a flux diagram at a certain tolerance
Type: Feature
#20
opened Apr 30, 2020 by
alongd
updated May 5, 2020
Training reactions: Use reverse rate as well for training
Topic: RMG
Type: Feature
#17
opened Apr 22, 2020 by
alongd
updated Apr 22, 2020
Previous Next
ProTip!
Find all open issues with in progress development work with linked:pr.