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Commit 62df525

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Minor fix and refactor
1 parent cca5fa9 commit 62df525

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2 files changed

+1
-6
lines changed

2 files changed

+1
-6
lines changed

source/module_esolver/esolver_ks_lcao_tddft.cpp

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Original file line numberDiff line numberDiff line change
@@ -225,6 +225,7 @@ void ESolver_KS_LCAO_TDDFT<Device>::update_pot(UnitCell& ucell, const int istep,
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if (td_htype == 1)
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{
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// Length of Hk_laststep and Sk_laststep, nlocal * nlocal for global, nloc for local
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const int len_HS = use_tensor && use_lapack ? nlocal * nlocal : nloc;
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if (this->Hk_laststep == nullptr)

source/module_hamilt_lcao/module_tddft/propagator.cpp

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@@ -769,12 +769,6 @@ void Propagator::compute_propagator_cn2_tensor_lapack(const int nlocal,
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{
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ct::Tensor ipiv_cpu = ipiv.to_device<ct::DEVICE_CPU>();
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GlobalV::ofs_running << " this->ParaV->nloc = " << this->ParaV->nloc << std::endl;
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GlobalV::ofs_running << " this->ParaV->nrow = " << this->ParaV->nrow << std::endl;
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GlobalV::ofs_running << " this->ParaV->ncol = " << this->ParaV->ncol << std::endl;
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GlobalV::ofs_running << " this->ParaV->nb = " << this->ParaV->nb << std::endl;
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GlobalV::ofs_running << " this->ParaV->get_block_size() = " << this->ParaV->get_block_size() << std::endl;
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GlobalV::ofs_running << " nlocal = " << nlocal << std::endl;
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GlobalV::ofs_running << " ipiv:" << std::endl;
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for (int i = 0; i < nlocal; i++)
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{

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