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fix merge error
1 parent 29c639e commit 3494a3a

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source/module_ri/Exx_LRI.hpp

Lines changed: 35 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -59,6 +59,41 @@ void Exx_LRI<Tdata>::init(const MPI_Comm &mpi_comm_in,
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this->lcaos, this->abfs, this->abfs_ccp,
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this->info.kmesh_times, this->info.ccp_rmesh_times );
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this->cv.set_orbitals(ucell,
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orb,
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this->lcaos,
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this->abfs,
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this->abfs_ccp,
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this->info.kmesh_times,
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this->MGT,
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true,
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true);
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if (this->info_ewald.use_ewald) {
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if (this->info.hybrid_beta) {
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this->abfs_ccp_sr = Conv_Coulomb_Pot_K::cal_orbs_ccp(
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this->abfs,
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Conv_Coulomb_Pot_K::Ccp_Type::Erfc,
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{{"hse_omega", this->info.hse_omega}},
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this->info.ccp_rmesh_times);
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this->sr_cv.set_orbitals(ucell, orb,
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this->lcaos,
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this->abfs,
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this->abfs_ccp_sr,
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this->info.kmesh_times,
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this->MGT,
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false,
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false);
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}
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this->evq.init(ucell, orb,
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this->mpi_comm,
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this->p_kv,
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this->lcaos,
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this->abfs,
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get_ccp_parameter(),
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this->MGT);
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}
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ModuleBase::timer::tick("Exx_LRI", "init");
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}
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