Refactor: add nullptr for uninitialized pointer (#7078)

Co-authored-by: linpz <linpz@mail.ustc.edu.cn>

Author: linpeize

source/source_base/mcd.c

@@ -705,7 +705,7 @@ int MCD_sscanf(const char *str,const char *fmt,char*fun,char*file,int line,...)
 /* scanf etc helper function */
 void scan_args(const char *fmt,va_list argptr,char*fun,char*file,int line)
 {
-	char **ptr;
+	char ** ptr = nullptr;
 	void * dummy = nullptr;	// clear up the unused warning
 
 	for(;*fmt;fmt++) {

source/source_lcao/module_deepks/LCAO_deepks.h

@@ -90,7 +90,7 @@ class LCAO_Deepks
     std::vector<torch::Tensor> pdm;
 
     /// dE/dD, autograd from loaded model(E: Ry)
-    double** gedm; //[tot_Inl][(2l+1)*(2l+1)]
+    double** gedm = nullptr; //[tot_Inl][(2l+1)*(2l+1)]
 
     // functions for hr status: 1. get value; 2. set value;
     int get_hr_cal()

source/source_lcao/module_gint/gint_rho.h

@@ -35,7 +35,7 @@ class Gint_rho : public Gint
     const bool is_dm_symm_;
 
     // output
-    double **rho_;
+    double ** rho_ = nullptr;
 
     // Intermediate variables
     std::vector<HContainer<double>> dm_gint_vec_;

source/source_lcao/module_gint/gint_rho_gpu.h

@@ -40,7 +40,7 @@ class Gint_rho_gpu: public Gint
     const bool is_dm_symm_;
 
     // output
-    double **rho_;
+    double ** rho_ = nullptr;
 
     // Intermediate variables
     std::vector<HContainer<double>> dm_gint_vec_;

source/source_lcao/module_gint/gint_tau.h

@@ -29,7 +29,7 @@ class Gint_tau : public Gint
     const int nspin_;
 
     // output
-    double **kin_;
+    double ** kin_ = nullptr;
 
     // Intermediate variables
     std::vector<HContainer<double>> dm_gint_vec_;

source/source_lcao/module_gint/gint_tau_gpu.h

@@ -35,7 +35,7 @@ class Gint_tau_gpu : public Gint
     const int nspin_;
 
     // output
-    double **kin_;
+    double ** kin_ = nullptr;
 
     // Intermediate variables
     std::vector<HContainer<double>> dm_gint_vec_;

source/source_lcao/module_lr/lr_spectrum.cpp

@@ -53,7 +53,7 @@ ModuleBase::Vector3<double> LR::LR_Spectrum<double>::cal_transition_dipole_istat
     for (int is = 0;is < this->nspin_x;++is)
     {
         // 2. transition density
-        double** rho_trans;
+        double** rho_trans = nullptr;
         LR_Util::_allocate_2order_nested_ptr(rho_trans, 1, this->rho_basis.nrxx);
         ModuleBase::GlobalFunc::ZEROS(rho_trans[0], this->rho_basis.nrxx);
         ModuleGint::cal_gint_rho({ DM_trans.get_DMR_vector().at(is) }, 1, rho_trans, false);
@@ -90,8 +90,8 @@ ModuleBase::Vector3<std::complex<double>> LR::LR_Spectrum<std::complex<double>>:
     for (int is = 0;is < this->nspin_x;++is)
     {
         // 2. transition density
-        double** rho_trans_real;
-        double** rho_trans_imag;
+        double** rho_trans_real = nullptr;
+        double** rho_trans_imag = nullptr;
         LR_Util::_allocate_2order_nested_ptr(rho_trans_real, 1, this->rho_basis.nrxx);
         LR_Util::_allocate_2order_nested_ptr(rho_trans_imag, 1, this->rho_basis.nrxx);
 

source/source_lcao/module_lr/operator_casida/operator_lr_hxc.cpp

@@ -56,7 +56,7 @@ namespace LR
 
         // 2. transition electron density
         // \f[ \tilde{\rho}(r)=\sum_{\mu_j, \mu_b}\tilde{\rho}_{\mu_j,\mu_b}\phi_{\mu_b}(r)\phi_{\mu_j}(r) \f]
-        double** rho_trans;
+        double** rho_trans = nullptr;
         const int& nrxx = this->pot.lock()->nrxx;
         LR_Util::_allocate_2order_nested_ptr(rho_trans, 1, nrxx); // currently gint_kernel_rho uses PARAM.inp.nspin, it needs refactor
         ModuleBase::GlobalFunc::ZEROS(rho_trans[0], nrxx);
@@ -90,7 +90,7 @@ namespace LR
 
 
                 // 2. transition electron density
-                double** rho_trans;
+                double** rho_trans = nullptr;
                 const int& nrxx = this->pot.lock()->nrxx;
 
                 LR_Util::_allocate_2order_nested_ptr(rho_trans, 1, nrxx); // nspin=1 for transition density

source/source_lcao/module_lr/potentials/xc_kernel.cpp

@@ -52,7 +52,7 @@ LR::KernelXC::KernelXC(const ModulePW::PW_Basis& rho_basis,
     if (lr_init_xc_kernel[0] == "from_charge_file")
     {
         assert(lr_init_xc_kernel.size() >= 2);
-        double** rho_for_fxc;
+        double** rho_for_fxc = nullptr;
         LR_Util::_allocate_2order_nested_ptr(rho_for_fxc, nspin, nrxx);
         double ef = 0.0;
         int prenspin = 1;