Bug fixes in pseudo inverse computations #942
Merged
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Summary
There were two small bugs in the pseudo inverse computations.
pymatgen.core.Element
. Hydrogen's pseudo inverse was a third of what if should have been (sum of all isotope values). This affects the average slightly, so a few values in the tests had to be adapted.Additionally, I also had issues with pre-commit due to types-all, which has been deprecated, and I fixed it by listing all needed types.
Tests are passing in my branch with python 3.9 and 3.10, not with 3.11 but the tests that are failing are not related to these changes, so I don't know.