Refactor: remove redundant Local_Orbital_Charge in class Veff and DeepKS (#4572)

Author: PeizeLin

source/module_esolver/esolver_ks_lcao_elec.cpp

@@ -170,7 +170,6 @@ void ESolver_KS_LCAO<TK, TR>::beforesolver(const int istep) {
             GlobalV::GAMMA_ONLY_LOCAL ? &(this->GG) : nullptr,
             GlobalV::GAMMA_ONLY_LOCAL ? nullptr : &(this->GK),
             &(this->LM),
-            &(this->LOC),
             this->pelec->pot,
             this->kv,
             two_center_bundle_,

source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.cpp

@@ -62,7 +62,6 @@ template <typename TK, typename TR>
 HamiltLCAO<TK, TR>::HamiltLCAO(Gint_Gamma* GG_in,
                                Gint_k* GK_in,
                                LCAO_Matrix* LM_in,
-                               Local_Orbital_Charge* loc_in,
                                elecstate::Potential* pot_in,
                                const K_Vectors& kv_in,
                                const TwoCenterBundle& two_center_bundle,
@@ -191,8 +190,7 @@ HamiltLCAO<TK, TR>::HamiltLCAO(Gint_Gamma* GG_in,
 #ifdef __DEEPKS
         if (GlobalV::deepks_scf)
         {
-            Operator<TK>* deepks = new DeePKS<OperatorLCAO<TK, TR>>(loc_in,
-                                                                    LM_in,
+            Operator<TK>* deepks = new DeePKS<OperatorLCAO<TK, TR>>(LM_in,
                                                                     this->kv->kvec_d,
                                                                     this->hR, // no explicit call yet
                                                                     &(this->getHk(LM_in)),
@@ -326,8 +324,7 @@ HamiltLCAO<TK, TR>::HamiltLCAO(Gint_Gamma* GG_in,
 #ifdef __DEEPKS
         if (GlobalV::deepks_scf)
         {
-            Operator<TK>* deepks = new DeePKS<OperatorLCAO<TK, TR>>(loc_in,
-                                                                    LM_in,
+            Operator<TK>* deepks = new DeePKS<OperatorLCAO<TK, TR>>(LM_in,
                                                                     this->kv->kvec_d,
                                                                     hR,
                                                                     &(this->getHk(LM_in)),

source/module_hamilt_lcao/hamilt_lcaodft/hamilt_lcao.h

@@ -27,7 +27,6 @@ class HamiltLCAO : public Hamilt<TK>
     HamiltLCAO(Gint_Gamma* GG_in,
                Gint_k* GK_in,
                LCAO_Matrix* LM_in,
-               Local_Orbital_Charge* loc_in,
                elecstate::Potential* pot_in,
                const K_Vectors& kv_in,
                const TwoCenterBundle& two_center_bundle,

source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.cpp

@@ -15,8 +15,7 @@ namespace hamilt
 {
 
 template <typename TK, typename TR>
-DeePKS<OperatorLCAO<TK, TR>>::DeePKS(Local_Orbital_Charge* loc_in,
-                                     LCAO_Matrix* LM_in,
+DeePKS<OperatorLCAO<TK, TR>>::DeePKS(LCAO_Matrix* LM_in,
                                      const std::vector<ModuleBase::Vector3<double>>& kvec_d_in,
                                      HContainer<TR>* hR_in,
                                      std::vector<TK>* hK_in,
@@ -25,7 +24,7 @@ DeePKS<OperatorLCAO<TK, TR>>::DeePKS(Local_Orbital_Charge* loc_in,
                                      const TwoCenterIntegrator* intor_orb_alpha,
                                      const int& nks_in,
                                      elecstate::DensityMatrix<TK, double>* DM_in)
-    : loc(loc_in), nks(nks_in), ucell(ucell_in), OperatorLCAO<TK, TR>(LM_in, kvec_d_in, hR_in, hK_in), DM(DM_in),
+    : nks(nks_in), ucell(ucell_in), OperatorLCAO<TK, TR>(LM_in, kvec_d_in, hR_in, hK_in), DM(DM_in),
       intor_orb_alpha_(intor_orb_alpha)
 {
     this->cal_type = calculation_type::lcao_deepks;

source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/deepks_lcao.h

@@ -30,8 +30,7 @@ template <typename TK, typename TR>
 class DeePKS<OperatorLCAO<TK, TR>> : public OperatorLCAO<TK, TR>
 {
   public:
-    DeePKS<OperatorLCAO<TK, TR>>(Local_Orbital_Charge* loc_in,
-                                 LCAO_Matrix* LM_in,
+    DeePKS<OperatorLCAO<TK, TR>>(LCAO_Matrix* LM_in,
                                  const std::vector<ModuleBase::Vector3<double>>& kvec_d_in,
                                  HContainer<TR>* hR_in,
                                  std::vector<TK>* hK_in,
@@ -57,8 +56,6 @@ class DeePKS<OperatorLCAO<TK, TR>> : public OperatorLCAO<TK, TR>
 #endif
 
   private:
-    Local_Orbital_Charge* loc;
-
     elecstate::DensityMatrix<TK, double>* DM;
 
     const UnitCell* ucell = nullptr;