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JW – Thanks. We’re currenty in a PR freeze for the 0.8.4/0.9.1 release. I’ll check these out once we’re merging against.
JM – There are two readthedocs..yaml files. I think the one in the docs subfolder is not functional and can be removed. I’ll open a PR for this.
JM – Re: The virtualsites writeup – I think we should split the top-level docs into
“quick start” (examples, faq, installation) ,
“using the toolkit” (SMIRNOFF spec, other existing user guide pages, virtualsites guide)
API docs (same as we have now)
JW – Agree
AM1BCC conformer handling
JM – We should add the information to the FAQ, and have the examples, where relevant, say “note that we ignore your conformation, see the FAQ”
JW – Agree
Next up
Previous
Try converting a few pages of docs to MyST – Provide a proof of concept for JW, that we could bring forward to the other core developers if it looks promising.