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Add the trace of excited-state in TDDFT-gradient scanner#494

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puzhichen wants to merge 1 commit into
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bytedance:feat/tddft-state-matching
Draft

Add the trace of excited-state in TDDFT-gradient scanner#494
puzhichen wants to merge 1 commit into
pyscf:masterfrom
bytedance:feat/tddft-state-matching

trace the excited-state in td gradient scanner

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