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ReactionMechanismGenerator
/
T3
The Tandem Tool (T3) for automated chemical kinetic model development
https://reactionmechanismgenerator.github.io/T3/
MIT License
12
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5
forks
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Added auto-completion for RMG thermo and kinetics libraries based on the chemistry set
#160
alongd
closed
2 weeks ago
1
Backup key files and folder from an RMG run before restarting it
#159
alongd
closed
2 months ago
1
Save RMG files before restarting
#158
NellyMitnik
opened
3 months ago
0
Use the exists_function (isfile or isdir) when checking RMG libs
#157
alongd
closed
3 months ago
2
Updated CI and env
#156
alongd
closed
4 months ago
1
change save_edge in input to False as default
#155
NellyMitnik
closed
4 months ago
1
Improve parsing parameters from RMG SA csv files
#154
alongd
closed
4 months ago
1
Allow users to use a shared RMG library between different T3 projects
#153
alongd
closed
4 months ago
1
Allow users to limit the number of generations in a flux diagram
#152
alongd
closed
4 months ago
1
Control rmg cpus
#151
alongd
closed
4 months ago
1
Compute IDT and IDT SA using Cantera
#150
alongd
opened
6 months ago
0
Dockerfile base img
#149
calvinp0
closed
9 months ago
1
Julia update
#148
calvinp0
closed
9 months ago
1
Update Julia version restriction
#147
calvinp0
closed
9 months ago
1
Bump paramiko from 2.6.0 to 3.4.0
#146
dependabot[bot]
closed
4 months ago
1
Fix species identification in reaction wells when generating flux diagrams
#145
alongd
closed
9 months ago
1
changed jsr_run in FD to reach exactely tau
#144
NellyMitnik
closed
3 months ago
3
Updated cache CI to create more space
#143
calvinp0
closed
1 year ago
1
Fixing Cache and Docker CI
#142
calvinp0
closed
1 year ago
1
Added flux diagrams
#141
alongd
closed
1 year ago
1
Compute thermo
#140
alongd
opened
1 year ago
0
Slight name change
#139
alongd
closed
1 year ago
1
Report SA results per iteration
#138
alongd
opened
1 year ago
0
T3 should (optionally) to determine RMG move to core tolerances on its own
#137
alongd
opened
1 year ago
0
T3 should use Arkane YAML files where possible
#136
alongd
opened
1 year ago
0
Added cleaning steps
#135
calvinp0
closed
1 year ago
0
Updating Docker Image and Docker CI
#134
calvinp0
closed
1 year ago
1
Azure server
#133
calvinp0
opened
1 year ago
0
Fixed path to arc env and added aliases
#132
calvinp0
closed
1 year ago
1
Fix combinations of concentration ranges for RMG SA
#131
alongd
opened
1 year ago
1
Docker Size Reduction
#130
calvinp0
closed
1 year ago
1
Alternative julia install and openssh
#129
calvinp0
closed
1 year ago
1
Dockerfile - Julia Install Fix
#128
calvinp0
closed
1 year ago
1
Added a condition to run docker_build GitHub action
#127
kfir4444
closed
1 year ago
0
Dockerfile fix
#126
calvinp0
closed
1 year ago
1
Retooling T3 Environment
#125
calvinp0
closed
1 year ago
2
Auto-correct RMG termination criterion
#124
alongd
opened
1 year ago
0
Ci and install_all adjustment
#123
calvinp0
closed
1 year ago
1
Removed certain RUN commands
#122
calvinp0
closed
1 year ago
1
Bumped up the numpy version to align with ARC and RMG
#121
calvinp0
closed
1 year ago
1
Minor update to the update cache
#120
calvinp0
closed
1 year ago
1
Stop docker image build during PR and cleaned the docker CI file
#119
calvinp0
closed
1 year ago
1
Added installing julia and removed the restore keys
#118
calvinp0
closed
1 year ago
2
fixed typo in channel in install_all.sh
#117
kfir4444
closed
1 year ago
1
Updated the update_cache file to use bash as the shell
#116
calvinp0
closed
1 year ago
1
Updated the update_cache to now also cache when a merge into main occurs
#115
calvinp0
closed
1 year ago
1
Improved the T3 restart feature
#114
alongd
opened
1 year ago
0
Docker image
#113
calvinp0
closed
1 year ago
2
Changes to CI
#112
calvinp0
closed
1 year ago
1
Added maximum queue limit warnings for SLURM and PBS
#111
calvinp0
opened
1 year ago
1
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