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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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Generalize Some Radial Transformations #161

Closed Ali-Tehrani closed 1 year ago

Ali-Tehrani commented 1 year ago

Generalize radial transformations specific to HortonGrids/UniformInteger Grids. Specific to issue #143.

The following grids were generalized to work over any grid:

The following grid wasn't generalized because it requires some assumptions on the parameters and is very heavy parameter fiddling