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Discard everything except evaluation of functions on grids. #38

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3 tasks

tovrstra opened this issue Jan 29, 2019 · 0 comments

Open

3 tasks

Discard everything except evaluation of functions on grids. #38

tovrstra opened this issue Jan 29, 2019 · 0 comments

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tovrstra commented Jan 29, 2019 •

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Machinery to build Gaussian basis from molecule and basis set string will move to theochem/gbasis
Remove all integrals routines
Move remaining grid compute functions outside of the class, make them free functions.

tovrstra added this to the 0.2 release milestone

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