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Feature: Add HR output label for DeePKS. (#5968)
* 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.
1 parent 3b59b29 commit c8204a8

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source/module_esolver/esolver_ks_lcao.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -223,7 +223,7 @@ void ESolver_KS_LCAO<TK, TR>::before_all_runners(UnitCell& ucell, const Input_pa
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ucell.nat,
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orb_.Alpha[0].getTotal_nchi() * ucell.nat,
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ld.lmaxd,
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ld.inl_l,
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ld.inl2l,
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*orb_.Alpha,
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ld.pdm);
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}

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