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dgasmith / gau2grid

Fast computation of a gaussian and its derivative on a grid.
https://gau2grid.readthedocs.io/en/latest/
BSD 3-Clause "New" or "Revised" License
29 stars 15 forks source link

Remove mpmath #6

Closed dgasmith closed 6 years ago

dgasmith commented 6 years ago

Make mpmath an optional dependency only if one wishes to extend the maximum angular momentum. Accomplish this by pre-compiling and serializing up to AM=16 so that this maximum is not often hit.

dgasmith commented 6 years ago

Fixed in 125fe7fa94c80e78e03daf5573a5ff29ca7f61dc.