Feature: Add HR output label for DeePKS. #5968
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mohanchen
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Mar 7, 2025
mohanchen
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Machine Learning
Fisherd99
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Mar 31, 2025
* Add get_V_delta_R functions. * Change int pointer inl_l to vector inl2l in DeePKS. * clang-format change. * Fix test bug. * Add HR output for DeePKS.
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What's changed?
deepks_v_delta=-1for HR label output in DeePKS.inl_lto int vectorinl2lin DeePKS to avoid new/delete.