RMG-Py

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Stop using (and maybe remove) the old Mopac from RMG's conda channel

2

Via email from @godotalgorithm (thank you for reporting it, Jonathan!) > I'm maintaining MOPAC, which became an open-source project last year https://github.com/openmopac/mopac. I'm also maintaining MOPAC's availability on conda-forge https://anaconda.org/conda-forge/mopac....

rwest

Transitory Edge Analysis

4

Adds transitory edge analysis species selection algorithm to RMG. RMS dual PR with https://github.com/ReactionMechanismGenerator/ReactionMechanismSimulator.jl/pull/196.

mjohnson541

Cantera version 2.5

4

### Motivation or Problem addresses issue #2270. Cantera is deprecating the ".cti" output file type that RMG currently uses. for nicer features like coverage dependant thermo and kinetics, we need...

ChrisBNEU

Hello. I require merging 2 Chemkin files to get a single file to do a Chemkin simulation on a blend that I am working on for my Master Thesis Project....

Talatiya-Hardev

Correlated uncertainty for new BM trees

4

### Motivation or Problem RMG does not currently have a way to estimate correlated uncertainties of reaction rates. The uncertainty tool by [Gao et al](https://doi.org/10.1002/kin.21348) is not compatible with the...

sevyharris

v3.2.0 for new binaries

11

### Motivation or Problem Branch to eventually create new binaries ### Description of Changes - [x] update version - [x] update headers - [x] write release notes - [x] rebuild...

sevyharris

update developer installation instructions to use the main rms branch

5

### Motivation or Problem people are having trouble installing rmg because it is using an old rms version, see issue #2290 ### Description of Changes changed the documentation to use...

ChrisBNEU

Updating Conda environment requirements

3

### Motivation or Problem Now would be a good time to check and update our environment dependencies. PR #2321 needs to use a newer version of Cantera than 2.3, so...

rwest

Create YAML file outputs in RMG for use in Cantera

28

### Motivation or Problem Previously, RMG created CHEMKIN files as outputs when generating a mechanism. The final CHEMKIN file for a mechanism is then converted to a CTI file, which...

Nora-Khalil

While generating a model, I got the following trace: ``` Traceback (most recent call last): File "/home/alongd/anaconda3/envs/rmg_env/lib/python3.7/site-packages/julia/pseudo_python_cli.py", line 308, in main python(**vars(ns)) File "/home/alongd/anaconda3/envs/rmg_env/lib/python3.7/site-packages/julia/pseudo_python_cli.py", line 59, in python scope =...

alongd