Refactor: add nullptr for uninitialized pointer

source/source_base/math_bspline.h

@@ -37,7 +37,7 @@ class Bspline
     int norder; // the order of bezier base; norder >= 0
     double Dx; // Dx: the interval of control node
     double xi; // xi: the starting point
-    double *bezier; // bezier[n] = Bk[n]
+    double * bezier = nullptr; // bezier[n] = Bk[n]
 
   public:
     Bspline();

source/source_base/math_chebyshev.h

@@ -210,7 +210,7 @@ class Chebyshev
     std::complex<REAL>* coefc_cpu = nullptr;    //[CPU] expansion coefficient of each order
 
     FFTW<REAL> fftw;          // use for fftw
-    REAL* polytrace;                  //[CPU] w_n = \sum_i v^+ * T_n(A) * v, only
+    REAL* polytrace = nullptr;                  //[CPU] w_n = \sum_i v^+ * T_n(A) * v, only
 
     bool getcoef_real;    // coef_real has been calculated
     bool getcoef_complex; // coef_complex has been calculated
@@ -248,7 +248,7 @@ class FFTW<double>
     FFTW(const int norder2_in);
     ~FFTW();
     void execute_fftw();
-    double* dcoef; //[norder2]
+    double* dcoef = nullptr; //[norder2]
     fftw_complex* ccoef = nullptr;
     fftw_plan coef_plan;
 };
@@ -261,7 +261,7 @@ class FFTW<float>
     FFTW(const int norder2_in);
     ~FFTW();
     void execute_fftw();
-    float* dcoef; //[norder2]
+    float* dcoef = nullptr; //[norder2]
     fftwf_complex* ccoef = nullptr;
     fftwf_plan coef_plan;
 };

source/source_base/mcd.c

@@ -64,9 +64,9 @@ typedef struct ChunkS
 #else
 	long long	id;	// 64bit allocation ID
 #endif
-	char		*function;	//creating function
-	char		*file;		//file function is in
-	void		*ptr;		//pointer to allocation
+	char		* function = nullptr;	//creating function
+	char		* file = nullptr;		//file function is in
+	void		* ptr = nullptr;		//pointer to allocation
 	struct ChunkS 	*next,		//next chunk (null if nonw)
 			*prev;		//previous chunk (null if nonw)
 }Chunk;
@@ -706,7 +706,7 @@ int MCD_sscanf(const char *str,const char *fmt,char*fun,char*file,int line,...)
 void scan_args(const char *fmt,va_list argptr,char*fun,char*file,int line)
 {
 	char **ptr;
-	void *dummy;	// clear up the unused warning
+	void * dummy = nullptr;	// clear up the unused warning
 
 	for(;*fmt;fmt++) {
 		if(*fmt!='%')

source/source_base/module_container/base/core/bfc_allocator.h

@@ -122,7 +122,7 @@ class BFCAllocator : public Allocator {
             }
 
           private:
-            BFCAllocator* allocator_;  // The parent allocator
+            BFCAllocator* allocator_ = nullptr;  // The parent allocator
         };
 
         using free_chunk_set_t = std::set<ChunkHandle, ChunkComparator>;

source/source_basis/module_ao/ORB_nonlocal.h

@@ -42,7 +42,7 @@ class Numerical_Nonlocal
 			const int& nproj_in,
 			const Numerical_Nonlocal_Lm* ps_orbital_in);
 
-	Numerical_Nonlocal_Lm* Proj; ///< length: nproj(only store radial function )
+	Numerical_Nonlocal_Lm* Proj = nullptr; ///< length: nproj(only store radial function )
 
 	const double& get_rcut_max() const { return rcut_max; }
     const int& get_nproj() const { return nproj; }

source/source_basis/module_ao/ORB_nonlocal_lm.h

@@ -85,11 +85,11 @@ class Numerical_Nonlocal_Lm
 	double kcut;
 	double dk;
 
-	double* r_radial; //points of r
+	double* r_radial = nullptr; //points of r
 	double* k_radial = nullptr;
 
 	double* rab = nullptr;
-	double* beta_r; // |beta(r) * r>
+	double* beta_r = nullptr; // |beta(r) * r>
 	double* beta_k = nullptr;
 };
 

source/source_basis/module_ao/ORB_read.cpp

@@ -466,10 +466,10 @@ void LCAO_Orbitals::read_orb_file(std::ofstream& ofs_in, // GlobalV::ofs_running
         {
             ofs_in << " " << std::setw(12) << count + 1 << std::setw(3) << L << std::setw(3) << N;
 
-            double* radial; // radial mesh
-            double* psi;    // radial local orbital
+            double* radial = nullptr; // radial mesh
+            double* psi = nullptr;    // radial local orbital
             double* psir;   // psi * r
-            double* rab;    // dr
+            double* rab = nullptr;    // dr
 
             // set the number of mesh and the interval distance.
             ofs_in << std::setw(8) << meshr << std::setw(8) << dr;

source/source_cell/setup_nonlocal.h

@@ -14,8 +14,8 @@ class InfoNonlocal
 		///
 		///NON-LOCAL part for LCAO
 		///
-		Numerical_Nonlocal* Beta;/// nonlocal projectors (1-dimension array)
-		int *nproj; //mohan add 2010-12-19
+		Numerical_Nonlocal* Beta = nullptr;/// nonlocal projectors (1-dimension array)
+		int * nproj = nullptr; //mohan add 2010-12-19
 		int nprojmax; // mohan add 2010-03-07
 		double rcutmax_Beta;	//caoyu add 2021-05-24
 		const double& get_rcutmax_Beta(void) const { return rcutmax_Beta; }

source/source_esolver/esolver_fp.h

@@ -60,8 +60,8 @@ class ESolver_FP: public ESolver
     //!          charge density and potential are defined on dense grids,
     //!          but effective potential needs to be interpolated on smooth grids in order to compute Veff|psi>
     ModulePW::PW_Basis* pw_rho = nullptr;
-    ModulePW::PW_Basis* pw_rhod;    //! dense grid for USPP
-    ModulePW::PW_Basis_Big* pw_big; ///< [temp] pw_basis_big class
+    ModulePW::PW_Basis* pw_rhod = nullptr;    //! dense grid for USPP
+    ModulePW::PW_Basis_Big* pw_big = nullptr; ///< [temp] pw_basis_big class
 
     //! parallel for rho grid
     Parallel_Grid Pgrid;

source/source_hsolver/module_genelpa/utils.cpp

@@ -94,7 +94,7 @@ void loadMatrix(const char FileName[], int nFull, double* a, int* desca, int bla
     if (myid == ROOT_PROC)
         matrixFile.open(FileName);
 
-    double* b; // buffer
+    double* b = nullptr; // buffer
     const int MAX_BUFFER_SIZE = 1e9; // max buffer size is 1GB
 
     int N = nFull;
@@ -179,7 +179,7 @@ void saveMatrix(const char FileName[], int nFull, double* a, int* desca, int bla
         matrixFile.width(24);
     }
 
-    double* b; // buffer
+    double* b = nullptr; // buffer
     const int MAX_BUFFER_SIZE = 1e9; // max buffer size is 1GB
 
     int N = nFull;

source/source_lcao/force_stress_arrays.h

@@ -44,7 +44,7 @@ class ForceStressArrays
     // r_mu - r_nu
     //----------------------------------------
 
-    double* DH_r;//zhengdy added 2017-07
+    double* DH_r = nullptr;//zhengdy added 2017-07
 
     double* stvnl11 = nullptr;
     double* stvnl12 = nullptr;

source/source_lcao/module_ri/ewald_Vq.h

@@ -83,7 +83,7 @@ class Ewald_Vq
     double ccp_rmesh_times;
     LRI_CV<Tdata> cv;
     Gaussian_Abfs gaussian_abfs;
-    const K_Vectors* p_kv;
+    const K_Vectors* p_kv = nullptr;
     std::vector<ModuleBase::Vector3<double>> kvec_c;
     // std::vector<double> wk;
     MPI_Comm mpi_comm;

source/source_lcao/module_rt/propagator_cn2.cpp

@@ -388,10 +388,10 @@ void Propagator::compute_propagator_cn2_tensor(const int nlocal,
 
     // 5. QR Factorization of A (Denominator)
     int64_t tau_size = m_global + nb;
-    void* d_tau;
+    void* d_tau = nullptr;
     cudaMallocAsync(&d_tau, tau_size * sizeof(std::complex<double>), cublas_res.stream);
 
-    int* d_info;
+    int* d_info = nullptr;
     cudaMallocAsync(&d_info, sizeof(int), cublas_res.stream);
     cudaMemsetAsync(d_info, 0, sizeof(int), cublas_res.stream);
 

source/source_md/md_base.h

@@ -75,7 +75,7 @@ class MD_base
     int step_;                          ///< the MD step finished in current calculation
     int step_rst_;                      ///< the MD step finished in previous calculations
     int frozen_freedom_;                ///< the fixed freedom of the system
-    double* allmass;                    ///< atom mass
+    double* allmass = nullptr;                    ///< atom mass
     ModuleBase::Vector3<double>* pos;   ///< atom displacements  liuyu modify 2023-03-22
     ModuleBase::Vector3<double>* vel;   ///< atom velocity
     ModuleBase::Vector3<int>* ionmbl;   ///< atom is frozen or not

source/source_md/nhchain.h

@@ -73,10 +73,10 @@ class Nose_Hoover : public MD_base
 
     int tdof;           ///< particle degree of freedom
     double t_target=0.0;///< target temperature
-    double* mass_eta;   ///< mass of thermostats coupled with particles
-    double* eta;        ///< position of thermostats coupled with particles
-    double* v_eta;      ///< velocity of thermostats coupled with particles
-    double* g_eta;      ///< acceleration of thermostats coupled with particles
+    double* mass_eta = nullptr;   ///< mass of thermostats coupled with particles
+    double* eta = nullptr;        ///< position of thermostats coupled with particles
+    double* v_eta = nullptr;      ///< velocity of thermostats coupled with particles
+    double* g_eta = nullptr;      ///< acceleration of thermostats coupled with particles
 
     int npt_flag;                ///< whether NPT ensemble
     double mass_omega[6];        ///< mass of lattice component
@@ -89,10 +89,10 @@ class Nose_Hoover : public MD_base
     double p_target[6];          ///< target stress components
     double p_hydro = 0.0;        ///< target hydrostatic target pressure
     double p_current[6] = {0.0}; ///< current stress after coupled
-    double* mass_peta;           ///< mass of thermostats coupled with barostat
-    double* peta;                ///< position of thermostats coupled with barostat
-    double* v_peta;              ///< velocity of thermostats coupled with barostat
-    double* g_peta;              ///< acceleration of thermostats coupled with barostat
+    double* mass_peta = nullptr;           ///< mass of thermostats coupled with barostat
+    double* peta = nullptr;                ///< position of thermostats coupled with barostat
+    double* v_peta = nullptr;              ///< velocity of thermostats coupled with barostat
+    double* g_peta = nullptr;              ///< acceleration of thermostats coupled with barostat
     double mtk_term=0;           ///< mtk correction
     double md_tfreq;             ///< Oscillation frequency, used to determine qmass of thermostats coupled with particles
     double md_pfirst;            ///< Initial pressure

source/source_pw/module_pwdft/vl_pw.h

@@ -24,11 +24,11 @@ class pseudopot_cell_vl
                    const ModulePW::PW_Basis* rho_basis);
 
     ModuleBase::matrix vloc;   //(ntype,ngl),the local potential for each atom type(ntype,ngl)
-	bool *numeric; //[ntype], =true
+	bool * numeric = nullptr; //[ntype], =true
 
 private:
 
-	double *zp;   // (npsx),the charge of the pseudopotential
+	double * zp = nullptr;   // (npsx),the charge of the pseudopotential
 
 	void allocate(const UnitCell& ucell,
                   const int ngg);

source/source_relax/bfgs_basic.h

@@ -26,12 +26,12 @@ class BFGS_Basic
     void reset_hessian(void);
     void save_bfgs(void);
 
-    double* pos;  // std::vector containing 3N coordinates of the system ( x )
-    double* grad; // std::vector containing 3N components of ( grad( V(x) ) )
-    double* move; // pos = pos_p + move.
+    double* pos = nullptr;  // std::vector containing 3N coordinates of the system ( x )
+    double* grad = nullptr; // std::vector containing 3N components of ( grad( V(x) ) )
+    double* move = nullptr; // pos = pos_p + move.
 
-    double* pos_p;  // p: previous
-    double* grad_p; // p: previous
+    double* pos_p = nullptr;  // p: previous
+    double* grad_p = nullptr; // p: previous
     double* move_p = nullptr;
 
   public:                        // mohan update 2011-06-12

source/source_relax/lbfgs.h

@@ -48,7 +48,7 @@ class LBFGS
     double energy;                          ///< Current system energy
     double alpha_k;                         ///< Step size parameter
 
-    ModuleESolver::ESolver* solver;         ///< Structure solver
+    ModuleESolver::ESolver* solver = nullptr;         ///< Structure solver
     std::vector<double> steplength;//the length of atoms displacement 
     std::vector<std::vector<double>> H;//Hessian matrix
     std::vector<double> force0;//force in previous step