Refactor: remove global variable GlobalC::exx_info.info_ri.abfs_Lmax

Author: PeizeLin

source/source_hamilt/module_xc/exx_info.h

@@ -69,8 +69,6 @@ struct Exx_Info
         double kmesh_times = 4;
         double Cs_inv_thr = -1;
 
-        int abfs_Lmax = 0; // tmp
-
         Exx_Info_RI(const Exx_Info::Exx_Info_Global& info_global)
             : coulomb_param(info_global.coulomb_param)
         {
@@ -80,7 +78,7 @@ struct Exx_Info
 
     struct Exx_Info_Opt_ABFs
     {
-        int abfs_Lmax = 0; // tmp
+        int abfs_Lmax = 0;
         double ecut_exx = 60;
         double tolerence = 1E-12;
         std::vector<std::string> files_jles;

source/source_lcao/module_ri/Exx_LRI.hpp

@@ -50,9 +50,6 @@ void Exx_LRI<Tdata>::init(const MPI_Comm &mpi_comm_in,
 	Exx_Abfs::Construct_Orbs::filter_empty_orbs(this->abfs);
 	Exx_Abfs::Construct_Orbs::print_orbs_size(ucell, this->abfs, GlobalV::ofs_running);
 
-	for( size_t T=0; T!=this->abfs.size(); ++T )
-		{ GlobalC::exx_info.info_ri.abfs_Lmax = std::max( GlobalC::exx_info.info_ri.abfs_Lmax, static_cast<int>(this->abfs[T].size())-1 ); }
-
 	this->coulomb_settings = RI_Util::update_coulomb_settings(this->info.coulomb_param, ucell, this->p_kv);
 
 	std::shared_ptr<ORB_gaunt_table> MGT = std::make_shared<ORB_gaunt_table>();

source/source_lcao/module_ri/Exx_LRI_interface.hpp

@@ -111,7 +111,7 @@ void Exx_LRI_Interface<T, Tdata>::exx_before_all_runners(
         this->symrot_.find_irreducible_sector(
             ucell.symm, ucell.atoms, ucell.st,
             RI_Util::get_Born_von_Karmen_cells(period), period, ucell.lat);
-        this->symrot_.set_abfs_Lmax(GlobalC::exx_info.info_ri.abfs_Lmax);
+        this->symrot_.set_abfs_Lmax(Exx_Abfs::get_Lmax(this->exx_ptr->abfs));
         this->symrot_.cal_Ms(kv, ucell, pv);
     }
 }

source/source_lcao/module_ri/RPA_LRI.hpp

@@ -95,7 +95,7 @@ void RPA_LRI<T, Tdata>::cal_postSCF_exx(const elecstate::DensityMatrix<T, Tdata>
         symrot.find_irreducible_sector(ucell.symm, ucell.atoms, ucell.st,
             Rs, period, ucell.lat);
         // set Lmax of the rotation matrices to max(l_ao, l_abf), to support rotation under ABF
-        symrot.set_abfs_Lmax(GlobalC::exx_info.info_ri.abfs_Lmax);
+        symrot.set_abfs_Lmax(Exx_Abfs::get_Lmax(exx_lri_rpa.abfs));
         symrot.cal_Ms(kv, ucell, *dm.get_paraV_pointer());
         // output Ts (symrot_R.txt) and Ms (symrot_k.txt)
         ModuleSymmetry::print_symrot_info_R(symrot, ucell.symm, ucell.lmax, Rs);