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graphcore-research / pyscf-ipu

PySCF on IPU
https://github.com/graphcore-research/pyscf-ipu#readme
Apache License 2.0
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Add binom factor notebook #123

Closed awf closed 9 months ago

awf commented 9 months ago

The function called "binom factor" is one of those with a variable-sized loop, which is tricky to vectorize. This notebook shows a strategy that might be helpful.

review-notebook-app[bot] commented 9 months ago

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hatemhelal commented 9 months ago

Neat solution, I remembered another reference that has a derivation for the binomial factor:

http://arxiv.org/abs/2007.12057

I think the double summation in 2.45 might be useful comparison here