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Fix: potential segmentation fault in DFTU force&stress
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  • source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao

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source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/dftu_lcao.cpp

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Original file line numberDiff line numberDiff line change
@@ -47,9 +47,6 @@ void hamilt::DFTU<hamilt::OperatorLCAO<TK, TR>>::initialize_HR(Grid_Driver* Grid
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ModuleBase::TITLE("DFTU", "initialize_HR");
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ModuleBase::timer::tick("DFTU", "initialize_HR");
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auto* paraV = this->hR->get_paraV();// get parallel orbitals from HR
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// TODO: if paraV is nullptr, AtomPair can not use paraV for constructor, I will repair it in the future.
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this->adjs_all.clear();
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this->adjs_all.reserve(this->ucell->nat);
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for (int iat0 = 0; iat0 < ucell->nat; iat0++)

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