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logsdail / external_examples

Example scripts and Jupyter notebooks that complement the code presented in our repositories.
GNU General Public License v3.0
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Notebooks #3

Open logsdail opened 4 years ago

logsdail commented 4 years ago

It'd be good to have some notebooks on: [ ] - k-grid choices (what they are, how to test) [ ] - solvation (example inputs, differences between MPE and MPB)

Volunteers welcomed - @hthomas0 or Andres are the obvious people to volunteer for solvation...

hthomas0 commented 3 years ago

Since I've managed to get MPE working for what I'm doing at the moment, I'd be happy to volunteer for creating a solvation notebook.

logsdail commented 3 years ago

Thanks buddy!

Andy

From: hthomas0 notifications@github.com Reply to: logsdail/external_examples reply@reply.github.com Date: Friday, 13 November 2020 at 15:57 To: logsdail/external_examples external_examples@noreply.github.com Cc: Andrew Logsdail LogsdailA@cardiff.ac.uk, Author author@noreply.github.com Subject: Re: [logsdail/external_examples] Notebooks (#3)

Since I've managed to get MPE working for what I'm doing at the moment, I'd be happy to volunteer for creating a solvation notebook.

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