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theochem / grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
https://grid.qcdevs.org/
GNU Lesser General Public License v3.0
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Improve documentation in lebedev.py and interpolate.py #142

Closed Ali-Tehrani closed 2 years ago

Ali-Tehrani commented 2 years ago

This pull request mostly improves the documentation in lebedev.py and interpolate.py modules.

Added couple tests in lebedev (a7b2b36fe97b701b7f9a650f51a3da9576f88673) and interpolate (aabffa92053e4fa15fe3efb262a25b8d6e961c46). The commit headers should be clear which documentation were being changed. Black and flake8 problems were fixed and type hinting was added.