Richard West
Richard West
While you're editing headings there.... I feel that "Format (lecture / lab / …)" would be better as "Format". The extra was helpful in guiding authors using the template, but...
Maybe we should be making yaml not cti anyway.
@mliu49 is https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2311/commits/338504fc40379580d3d2a0a7faf31a38d4e393c4 likely to cause any issues, switching to the conda-forge binary of muq instead of the outdated rmg channel one? Are the places where muq is used covered...
We could make it _remove_ the training reactions that don't satisfy the constraints, so that they don't get turned into rules _and_ they don't get used later if fully isomorphic....
What to do with Matt's auto-generated trees when we have different metals and facets is an unsolved problem to be discussed another day...
I think the test failing `AttributeError: 'cantera._cantera.Species' object has no attribute 'input_data'` might mean that we're using an older version of Cantera? Would need to update the environment file? and...
I finally tracked down more recent documentation at https://open-babel.readthedocs.io/en/latest/index.html but it's frustrating that most of my queries on Google and a lot of links from openbabel.org point me to 2.3.1,...
Ummmm.... I don't recall an explicit roadblock. Other than @bslakman graduating 5 years ago. I think the work is still there, e.g. at https://github.com/ReactionMechanismGenerator/RMG-database/compare/master...bslakman:silicon-hydrides?expand=1 , if someone wants to try...
These are useful methods to have, to convert back and forth, and we should keep them, but I feel like training reactions should all be in the same format in...
Worth checking we do this: things entered in the reverse direction (i.e. desorption) will be a `SurfaceArrhenius` with units of `1/s`. These will need converting into a `StickingCoefficient`, not just...