search

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
109 stars 20 forks source link

Remove deprecated `pinv2` function in `scipy` #176

Closed FanwangM closed 2 years ago

FanwangM commented 2 years ago

More details is listed in https://github.com/scipy/scipy/issues/8861#issuecomment-1030803006

This PR fixes #174.

PaulWAyers commented 2 years ago

This will need to be revisited if we get "SVD did not converge" errors, as discussed in #174