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theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
https://procrustes.qcdevs.org/
GNU General Public License v3.0
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Refactor atom-atom mapping RST file #101

Closed FanwangM closed 3 years ago

FanwangM commented 3 years ago

This makes it consistent with the manuscript and notebook.

FanwangM commented 3 years ago

@fwmeng88 Is there any way to just render the Jupyter notebook here? I don't see any reason to repeat the same content/code snippet, and this also makes it hard to update examples/tutorials.

I know this is possible for an example python script, so I believe one can do the same for the notebook.

Thanks! This is a good point! Let me do some research and get it back to you.

FanwangM commented 3 years ago

I am going to close this as we are using nbsphinx to convert notebooks for the website (#106).