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Author: JGHan7

source/module_rdmft/rdmft.cpp

@@ -125,19 +125,13 @@ void RDMFT<TK, TR>::init(Gint_Gamma& GG_in, Gint_k& GK_in, Parallel_Orbitals& Pa
     H_wfc_exx_XC.resize(nk_total, ParaV->ncol_bands, ParaV->nrow);
     H_wfc_dft_XC.resize(nk_total, ParaV->ncol_bands, ParaV->nrow);
 
-    // 
-    // HK_TV.resize( ParaV->get_row_size()*ParaV->get_col_size() );
-    // HK_hartree.resize( ParaV->get_row_size()*ParaV->get_col_size() );
-    // HK_exx_XC.resize( ParaV->get_row_size()*ParaV->get_col_size() );
-    // HK_dft_XC.resize( ParaV->get_row_size()*ParaV->get_col_size() );
     //
     hsk_TV = new hamilt::HS_Matrix_K<TK>(ParaV, true);
     hsk_hartree = new hamilt::HS_Matrix_K<TK>(ParaV, true);
     hsk_dft_XC = new hamilt::HS_Matrix_K<TK>(ParaV, true);
     hsk_exx_XC = new hamilt::HS_Matrix_K<TK>(ParaV, true);
 
     HK_XC.resize( ParaV->get_row_size()*ParaV->get_col_size() );
-    HK_local.resize( ParaV->get_row_size()*ParaV->get_col_size() );
     // HK_RDMFT_pass.resize(nk_total, ParaV->get_row_size(), ParaV->get_col_size());
     // HK_XC_pass.resize(nk_total, ParaV->get_row_size(), ParaV->get_col_size());
 

source/module_rdmft/rdmft.h

@@ -133,18 +133,12 @@ class RDMFT
     hamilt::HContainer<TR>* HR_exx_XC = nullptr;
     // hamilt::HContainer<TR>* HR_local = nullptr;
 
-    std::vector<TK> HK_TV;
-    std::vector<TK> HK_hartree;
-    std::vector<TK> HK_exx_XC;
-    std::vector<TK> HK_dft_XC;
-
     hamilt::HS_Matrix_K<TK>* hsk_TV;
     hamilt::HS_Matrix_K<TK>* hsk_hartree;
     hamilt::HS_Matrix_K<TK>* hsk_dft_XC;
     hamilt::HS_Matrix_K<TK>* hsk_exx_XC;
 
     std::vector<TK> HK_XC;
-    std::vector<TK> HK_local;
     std::vector< std::vector<TK> > DM_XC_pass;
     // ModuleDirectMin::ProdStiefelVariable HK_RDMFT_pass;
     // ModuleDirectMin::ProdStiefelVariable HK_XC_pass;