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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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Rename #110

Closed FarnazH closed 3 years ago

FarnazH commented 3 years ago

To get balls rolling and based on our earlier conversions, I did some renaming of arguments to make them consistent with IOData. Please feel free to let me know if anything needs to change.