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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Update Quick_Start.ipynb notebook #128

Closed FarnazH closed 2 years ago

FarnazH commented 2 years ago

@fwmeng88 I polished the Quick_Start notebook to add the orthogonal Procrustes equations, and also more output to make it clear how to use the results.

FarnazH commented 2 years ago

This commit is pushed to PR #126.