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fix compile
1 parent de40f75 commit b9701f1

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-4
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2 files changed

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source/source_lcao/module_ri/Exx_LRI.hpp

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@@ -56,7 +56,6 @@ void Exx_LRI<Tdata>::init(const MPI_Comm &mpi_comm_in,
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bool init_MGT = true;
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for(const auto &settings_list : this->coulomb_settings)
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{
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this->exx_objs[settings_list.first].abfs_ccp = Conv_Coulomb_Pot_K::cal_orbs_ccp(this->abfs, settings_list.second.second, this->info.ccp_rmesh_times);
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this->exx_objs[settings_list.first].abfs_ccp = Conv_Coulomb_Pot_K::cal_orbs_ccp(this->abfs, settings_list.second.second, this->info.ccp_rmesh_times);
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this->exx_objs[settings_list.first].cv.set_orbitals(ucell, orb,
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this->lcaos, this->abfs, this->exx_objs[settings_list.first].abfs_ccp,

source/source_lcao/module_ri/RI_Util.hpp

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@@ -72,15 +72,12 @@ namespace RI_Util
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const std::map<Conv_Coulomb_Pot_K::Coulomb_Type, std::vector<std::map<std::string,std::string>>> &coulomb_param,
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const UnitCell &ucell,
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const K_Vectors *p_kv)
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const UnitCell &ucell,
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const K_Vectors *p_kv)
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{
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std::map<Conv_Coulomb_Pot_K::Coulomb_Type, std::vector<std::map<std::string,std::string>>> coulomb_param_updated = coulomb_param;
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for(auto &param_list : coulomb_param_updated)
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{
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for(auto &param : param_list.second)
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{
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if(param.at("singularity_correction") == "spencer")
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if(param.at("singularity_correction") == "spencer")
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{
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// 4/3 * pi * Rcut^3 = V_{supercell} = V_{unitcell} * Nk

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