Refactor compute_error and ProcrustesResult

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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Closed FarnazH closed 3 years ago

FarnazH commented 3 years ago

The compute_error and ProcrustesResult are refactored.

FarnazH commented 3 years ago

@fwmeng88 the failure is related to tox, can you please take a look?