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Optimize AFT get_k#805

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sunqm wants to merge 3 commits into
pyscf:masterfrom
sunqm:rsjk-factorize_dm
Open

Optimize AFT get_k#805
sunqm wants to merge 3 commits into
pyscf:masterfrom
sunqm:rsjk-factorize_dm

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@sunqm sunqm commented Jun 25, 2026

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Factorize density matrices into low-rank tensors in aft_jk.get_k to reduce the FLOPs of K matrix construction.

sunqm added 3 commits June 25, 2026 09:28
Factorize density matrices into low-rank tensors in aft_jk.get_k
to reduce the FLOPs of K matrix construction.
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