Refactor: Remove the inheritance relationship between hsolverLCAO/hsolverLIP and hsolver

source/module_esolver/esolver_ks_lcao.cpp

@@ -219,7 +219,7 @@ void ESolver_KS_LCAO<TK, TR>::before_all_runners(const Input_para& inp, UnitCell
     // 10) initialize the HSolver
     if (this->phsol == nullptr)
     {
-        this->phsol = new hsolver::HSolverLCAO<TK>(&(this->pv), GlobalV::KS_SOLVER);
+        this->phsol = new hsolver::HSolver<TK>();
     }
 
     // 11) inititlize the charge density

source/module_esolver/esolver_ks_lcao_tddft.cpp

@@ -104,7 +104,7 @@ void ESolver_KS_LCAO_TDDFT::before_all_runners(const Input_para& inp, UnitCell&
     // 7) initialize Hsolver
     if (this->phsol == nullptr)
     {
-        this->phsol = new hsolver::HSolverLCAO<std::complex<double>>(&this->pv, GlobalV::KS_SOLVER);
+        this->phsol = new hsolver::HSolver<std::complex<double>>();
     }
 
     // 8) initialize the charge density

source/module_esolver/esolver_ks_lcaopw.cpp

@@ -67,15 +67,14 @@ namespace ModuleESolver
     template <typename T>
     void ESolver_KS_LIP<T>::allocate_hsolver()
     {
-        this->phsol = new hsolver::HSolverLIP<T>(this->pw_wfc);
+        this->phsol = new hsolver::HSolver<T>();
     }
     template <typename T>
     void ESolver_KS_LIP<T>::deallocate_hsolver()
     {
         if (this->phsol != nullptr)
         {
-            std::cout << "test" << std::endl;
-            delete reinterpret_cast<hsolver::HSolverLIP<T>*>(this->phsol);
+            delete (this->phsol);
             this->phsol = nullptr;
         }
     }

source/module_hsolver/hsolver.h

@@ -23,33 +23,6 @@ class HSolver
   public:
     HSolver() {};
 
-    // solve Hamiltonian to electronic density in ElecState
-    virtual void solve(hamilt::Hamilt<T, Device>* phm,
-                       psi::Psi<T, Device>& ppsi,
-                       elecstate::ElecState* pes,
-                       const std::string method,
-                       const bool skip_charge)
-    {
-        return;
-    }
-
-    virtual void solve(hamilt::Hamilt<T, Device>* phm,
-                       psi::Psi<T, Device>& ppsi,
-                       elecstate::ElecState* pes,
-                       ModulePW::PW_Basis_K* wfc_basis,
-                       Stochastic_WF& stowf,
-                       const int istep,
-                       const int iter,
-                       const std::string method,
-                       const int scf_iter_in,
-                       const bool need_subspace_in,
-                       const int diag_iter_max_in,
-                       const double pw_diag_thr_in,
-                       const bool skip_charge)
-    {
-        return;
-    }
-
     // set diagethr according to drho (for lcao and lcao-in-pw, we suppose the error is zero and we set diagethr to 0)
     virtual Real set_diagethr(Real diag_ethr_in, const int istep, const int iter, const Real drho)
     {

source/module_hsolver/hsolver_lcao.h

@@ -8,17 +8,19 @@ namespace hsolver
 {
 
 template <typename T, typename Device = base_device::DEVICE_CPU>
-class HSolverLCAO : public HSolver<T, Device>
+class HSolverLCAO
 {
   public:
-    HSolverLCAO(const Parallel_Orbitals* ParaV_in, std::string method_in)
-          : ParaV(ParaV_in), method(method_in)
-    {};
+    HSolverLCAO(const Parallel_Orbitals* ParaV_in, std::string method_in) : ParaV(ParaV_in), method(method_in) {};
 
-    void solve(hamilt::Hamilt<T>* pHamilt, psi::Psi<T>& psi, elecstate::ElecState* pes, const std::string method_in, const bool skip_charge) override;
+    void solve(hamilt::Hamilt<T>* pHamilt,
+               psi::Psi<T>& psi,
+               elecstate::ElecState* pes,
+               const std::string method_in,
+               const bool skip_charge);
 
     static std::vector<int> out_mat_hs; // mohan add 2010-09-02
-    static int out_mat_hsR; // LiuXh add 2019-07-16
+    static int out_mat_hsR;             // LiuXh add 2019-07-16
     static int out_mat_t;
     static int out_mat_dh;
 
@@ -29,7 +31,6 @@ class HSolverLCAO : public HSolver<T, Device>
 
     void parakSolve(hamilt::Hamilt<T>* pHamilt, psi::Psi<T>& psi, elecstate::ElecState* pes, int kpar);
 
-
     bool is_first_scf = true;
 
     using Real = typename GetTypeReal<T>::type;
@@ -50,13 +51,13 @@ template <typename T, typename Device>
 int HSolverLCAO<T, Device>::out_mat_dh = 0;
 
 template <typename T>
-inline  T my_conj(T value)
+inline T my_conj(T value)
 {
     return value;
 }
 
 template <>
-inline  std::complex<double> my_conj(std::complex<double> value)
+inline std::complex<double> my_conj(std::complex<double> value)
 {
     return std::conj(value);
 }

source/module_hsolver/hsolver_lcaopw.h

@@ -8,7 +8,7 @@ namespace hsolver {
 
     // LCAO-in-PW does not support GPU now.
     template <typename T>
-    class HSolverLIP : public HSolver<T, base_device::DEVICE_CPU>
+    class HSolverLIP
     {
     private:
         // Note GetTypeReal<T>::type will 

source/module_hsolver/hsolver_pw_sdft.h

@@ -30,7 +30,7 @@ class HSolverPW_SDFT : public HSolverPW<std::complex<double>>
                        const bool need_subspace_in,
                        const int diag_iter_max_in,
                        const double pw_diag_thr_in,
-                       const bool skip_charge) override;
+                       const bool skip_charge);
 
     virtual double set_diagethr(double diag_ethr_in, const int istep, const int iter, const double drho) override;