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Analytical Gradients for DFT+U #459

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Merged
merged 10 commits into from
Aug 1, 2025
Merged

Analytical Gradients for DFT+U #459

merged 10 commits into from
Aug 1, 2025

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sunqm
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@sunqm sunqm commented Jul 17, 2025

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@sunqm sunqm marked this pull request as ready for review July 31, 2025 20:00
@sunqm sunqm merged commit 3101a2b into pyscf:master Aug 1, 2025
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@sunqm sunqm deleted the dft+u_grad branch August 1, 2025 19:01
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