delete some unused function and variables

Author: dzzz2001

source/Makefile.Objects

@@ -583,7 +583,6 @@ OBJS_LCAO=evolve_elec.o\
       LCAO_set_fs.o\
       LCAO_set_st.o\
       LCAO_nl_mu.o\
-      LCAO_nnr.o\
       LCAO_set_zero.o\
       LCAO_allocate.o\
       LCAO_set_mat2d.o\

source/module_esolver/set_matrix_grid.cpp

@@ -86,14 +86,7 @@ void ESolver_KS_LCAO<TK, TR>::set_matrix_grid(Record_adj& ra)
     // and allocate the space for H(R) and S(R).
     // If k point is used here, allocate HlocR after atom_arrange.
     ra.for_2d(this->pv, PARAM.globalv.gamma_only_local, orb_.cutoffs());
-
-    if (!PARAM.globalv.gamma_only_local)
-    {
-        // need to first calculae lgd.
-        // using GridT.init.
-        this->GridT.cal_nnrg(&this->pv, orb_.cutoffs());
-    }
-
+    
     ModuleBase::timer::tick("ESolver_KS_LCAO", "set_matrix_grid");
     return;
 }

source/module_hamilt_lcao/hamilt_lcaodft/CMakeLists.txt

@@ -27,7 +27,6 @@ if(ENABLE_LCAO)
         spar_hsr.cpp
         spar_st.cpp
         spar_u.cpp
-        LCAO_nnr.cpp
 		LCAO_set_fs.cpp
 		LCAO_set_st.cpp
 		LCAO_nl_mu.cpp	

source/module_hamilt_lcao/hamilt_lcaodft/LCAO_nnr.cpp

@@ -255,8 +255,6 @@ HamiltLCAO<TK, TR>::HamiltLCAO(Gint_Gamma* GG_in,
                 // reset spin index and real space Hamiltonian matrix
                 int start_spin = -1;
                 GK_in->reset_spin(start_spin);
-                GK_in->destroy_pvpR();
-                GK_in->allocate_pvpR();
             }
         }
 

source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp

@@ -222,7 +222,6 @@ class Gint {
                           double* rho);
 
     // save the < phi_0i | V | phi_Rj > in sparse H matrix.
-    bool pvpR_alloc_flag = false;
     hamilt::HContainer<double>* hRGint
         = nullptr; // stores Hamiltonian in sparse format
     std::vector<hamilt::HContainer<double>*> hRGint_tmp; // size of vec is 4, only used when nspin = 4

source/module_hamilt_lcao/module_gint/gint.h

@@ -12,11 +12,6 @@
 
 class Gint_k : public Gint {
   public:
-    ~Gint_k()
-    {
-        destroy_pvpR();
-    }
-
     /// @brief move operator for the next ESolver to directly use its infomation
     /// @param rhs 
     /// @return *this
@@ -42,17 +37,10 @@ class Gint_k : public Gint {
         } else if (this->spin_now != -1) {
             int start_spin = -1;
             this->reset_spin(start_spin);
-            // this->destroy_pvpR();
-            // this->allocate_pvpR();
         }
         return;
     }
 
-    // allocate the <phi_0 | V | phi_R> matrix element.
-    void allocate_pvpR();
-    // destroy the temporary <phi_0 | V | phi_R> matrix element.
-    void destroy_pvpR();
-
     // allocate the <phi_0 | V | dphi_R> matrix element.
     void allocate_pvdpR();
     // destroy the temporary <phi_0 | V | dphi_R> matrix element.