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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Update docs #164

Closed Ali-Tehrani closed 1 year ago

Ali-Tehrani commented 1 year ago

This pull-request updates the documentation in the code and website. Most of the latex errors are fixed and everything should look good now. The website is updated to include these changes. Incomplete multipole moments notebook is added, the moments don't match what I expected from Gaussian. Furthermore, I need to update solve_ode_bvp to include that it assumes that when r=0, the solution/interpolate is zero.