Hao-Wei Pang

Results 53 comments of Hao-Wei Pang

@JacksonBurns I see that the Conda Build test failed but this PR doesn't change anything related to that. Could you take a look?

@rwest Thanks for the question! These AECs/BACs are the results of this paper: https://pubs.acs.org/doi/full/10.1021/acs.jpca.4c00949 and all the calculation output files, the fitting scripts, and the fitting results can be found...

@rwest Yes, I will work on adding the metadata and arkane documentation. Also, Su, please definitely reach out! I'm happy to help.

Did you make any changes (e.g., add new reactions, etc.) to the `reaction.py` and `dictionary.txt`? If not I think the consensus is to not commit them, as it makes it...

> @hwpang also consider editing the Dockerfile: > > https://github.com/ReactionMechanismGenerator/RMG-Py/blob/14e4861035c0fb0d2ea9761bb338355724748727/Dockerfile#L65 It doesn't seem that this can be removed by this PR. From [here](https://github.com/docker-library/julia/issues/79), it sees that is used to avoid...

All tests have passed 🥳🥳🥳 @mjohnson541 Could you review before I clean up the commits? @JacksonBurns Let's work out a plan on the merge sequence with your other PRs

@JacksonBurns @mjohnson541 I've addressed most of the comments and have a couple of clarifying questions

@mjohnson541 @JacksonBurns I have addressed all the comments. Please review/approve. Thanks.

The CI is failing because PythonCall.jl has recently added a requirement for python version to be `>=3.8` [here](https://github.com/JuliaPy/PythonCall.jl/blob/main/CondaPkg.toml). During RMG subgroup discussion, we have decided to wait to merge this...

@mjohnson541 I'm seeing that there are many discussions above, could you summarize and list out the action items (if there are any) so that we can merge this PR?