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Feature: Add direct gradient label in DeePKS.#7509

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ErjieWu wants to merge 5 commits into
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ErjieWu:grad
Draft

Feature: Add direct gradient label in DeePKS.#7509
ErjieWu wants to merge 5 commits into
deepmodeling:developfrom
ErjieWu:grad

Accelerate cal_vdrpre_square.

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Build with Makefile & Intel compilers
succeeded Jun 23, 2026 in 1m 59s