Unrestricted KS vv10 gradient and hessian#640
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sunqm merged 10 commits intopyscf:masterfrom Feb 5, 2026
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…orrect, DF hessian is correct, direct hessian is wrong
sunqm
approved these changes
Feb 3, 2026
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Also support UKS (with or without vv10) gradient and hessian with grid response, and fix a bug with Becke weight derivatives.