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Derivatives needs enhancement #2

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gustavojra opened this issue Aug 23, 2021 · 0 comments

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gustavojra commented Aug 23, 2021

Add threading to all derivative functions
Enhance nuclear attraction integral derivative: hacky solution for libcint limitation can be better.
Clean code up!
Improve memory usage (e.g. there are places where pre-allocating arrays is possible)

gustavojra added the enhancement label

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