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Feature: term-separated LCAO Hamiltonian atomic derivatives (dH)#7473

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maki49 wants to merge 13 commits into
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maki49:h1-api
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Feature: term-separated LCAO Hamiltonian atomic derivatives (dH)#7473
maki49 wants to merge 13 commits into
deepmodeling:developfrom
maki49:h1-api

change scf_in_dmr ref due to not renormalizing charge at init_chg==dm

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succeeded Jun 16, 2026 in 7m 24s