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Fix multigrid integrals for skewed lattice - #976

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sunqm merged 6 commits into
pyscf:masterfrom
bytedance:multigrid-skewed-lattice-screening
Oct 21, 2026
Merged

sunqm merged 6 commits into
pyscf:masterfrom
bytedance:multigrid-skewed-lattice-screening

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@sunqm sunqm commented Oct 21, 2026

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Vxc kernel incorrectly discards important grids for skewed lattice.

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sunqm marked this pull request as ready for review October 21, 2026 19:56
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sunqm merged commit e1d8231 into pyscf:master Oct 21, 2026
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sunqm deleted the multigrid-skewed-lattice-screening branch October 21, 2026 19:56
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