New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

update example runinput.yml file from docs #206

Open

orbeckst opened this issue Apr 1, 2022 · 1 comment

Labels

docs

Member

orbeckst commented Apr 1, 2022 •

edited

Loading

@EliasCoba reports that the runinput.yml from https://mdpow.readthedocs.io/en/latest/init.html, in the section "2.3. Tutorial: Using the mdpow scripts to compute log POW of benzene", there is an hyperlink to a benzene.yml file using watermodel keyword. — #112 (comment)

TODO: replace watermodel with solventmodel

The text was updated successfully, but these errors were encountered:

orbeckst added the docs label

Member Author

orbeckst commented Jun 22, 2022

Instead of shipping the yml file with the docs, we should link it to the raw file on GitHub under the appropriate release tag, eg https://github.com/Becksteinlab/MDPOW/raw/release-0.8.0/doc/examples/benzene.yml (and the file in doc/example should be updated to contain everything that https://github.com/Becksteinlab/MDPOW/blob/release-0.8.0/mdpow/templates/runinput.yml has)

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment