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Where to place overlap cache #92

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kimt33 opened this issue Apr 1, 2019 · 0 comments
Open

Where to place overlap cache #92

kimt33 opened this issue Apr 1, 2019 · 0 comments

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@kimt33
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kimt33 commented Apr 1, 2019

At the moment, the cached functions _olp and _olp_deriv are stored in the _cache_fns attribute. This attribute is created in the __init__ of the class of wavefunctions that will be caching the overlaps (and its derivative). This approach seems to be quite ugly and I think can be cleaned up a bit.

Maybe it'll be better to give the option of caching the overlaps to all wavefunctions and let the user decide accordingly. This would suggest that the _cache_fns be moved to the load_cache method.

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