Richard West

Inviting additional case studies?

3

I stumbled across this thread on Twitter https://twitter.com/jqfonseca/status/1071015453781299200?s=21 And wondered about inviting the author to add a small case study to the book? Good just be the Twitter thread unrolled...

Web traffic Analytics?

3

Do we have sufficient analytics on the website to track views, downloads, incoming links, etc? Would be good to quantify how much impact the book might be having, and where,...

Landing page or redirect at https://jupyter4edu.github.io/ ?

1

The site https://jupyter4edu.github.io/ currently just gives a 404. Might be nice to have a redirect from there to https://jupyter4edu.github.io/jupyter-edu-book/ (or somewhere else)?

[Ch 6] Add okpy.org to section on automated grading of assignments

2

As suggested [on twitter](https://twitter.com/natea/status/1068691625206079489) by @natea, the section of chapter six on [Assessing student learning with Jupyter Notebooks](https://github.com/jupyter4edu/jupyter-edu-book/blob/master/06-getting-your-class-going-with-jupyter.md#assessing-student-learning-with-jupyter-notebooks) could mention https://okpy.org which says it "autogrades programming assignments, facilitates submission, composition...

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....

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...

Pickle testing not thorough enough

1

Pull request #2308 fixed an issue where an object (in that case a `GroupAtom`) was not pickling all of its properties, which led to strange hard-to-debug behaviour. But it would...

Coverage dependence not written for StickingCoefficient reactions

3

Apparently if you have `StickingCoefficient` kinetics with `coverage_dependence` attributes, coming from a reaction library, the coverage dependence does not get written to the chemkin file (or at least not in...

Save labeled adjacency lists of all reactions

8

### Motivation or Problem For third-party tools wishing to calculate reactions, eg. via automated TST calculations, it's helpful to have adjacency lists of reactant and product structures, with the atom...

Output Cantera YAML files directly.

6

### Motivation or Problem Currently RMG can only output mechanisms in CHEMKIN format. We then translate them into Cantera's CTI format using the ck2cti script. 1. Cantera is no longer...