initialize some variables (#3846)

* initialize some variables

* fix a semicolon

* Update sincos.cpp

* Update mathzone_add1.cpp

* Update mathzone_add1.cpp

* Update opt_DCsrch.cpp

* Update broyden_mixing.cpp

* Update pulay_mixing.cpp

* Update math_sphbes_test.cpp

* Update ORB_gen_tables.cpp

* Update ORB_table_phi.cpp

* Update math_sphbes_test.cpp

source/module_base/global_variable.cpp

@@ -25,8 +25,10 @@ int NLOCAL = 0; // total number of local basis.
 double  KSPACING[3] = {0.0,0.0,0.0};
 double MIN_DIST_COEF = 0.2;
 
-double PSEUDORCUT=0;//initialization
-bool PSEUDO_MESH=0;
+
+double PSEUDORCUT = 0;
+bool PSEUDO_MESH = false;
+
 
 std::string CALCULATION = "scf";
 std::string ESOLVER_TYPE = "ksdft";

source/module_base/libm/branred.cpp

@@ -86,7 +86,7 @@ static const double split =  CN;	/* 2^27 + 1 */
 int
 __branred(double x, double *a, double *aa)
 {
-  int i,k;
+  int i=0,k=0;
   mynumber  u,gor;
   double r[6],s,t,sum,b,bb,sum1,sum2,b1,bb1,b2,bb2,x1,x2,t1,t2;
 

source/module_base/libm/sincos.cpp

@@ -1194,7 +1194,7 @@ void
 __sincos (double x, double *sinx, double *cosx)
 {
   mynumber u;
-  int k;
+  int k = 0;
 
   u.x = x;
   k = u.i[HIGH_HALF] & 0x7fffffff;
@@ -1229,8 +1229,8 @@ __sincos (double x, double *sinx, double *cosx)
   /* |x| < 2^1024.  */
   if (k < 0x7ff00000)
     {
-      double a, da, xx;
-      unsigned int n;
+      double a = 0.0, da = 0.0, xx = 0.0;
+      unsigned int n = 0;
 
       /* If |x| < 105414350 use simple range reduction.  */
       n = k < 0x419921FB ? reduce_sincos (x, &a, &da) : __branred (x, &a, &da);

source/module_base/math_sphbes.cpp

@@ -18,11 +18,26 @@ void Sphbes::BESSJY(double x, double xnu, double *rj, double *ry, double *rjp, d
     const double EPS = 1.0e-10;
     const int MAXIT = 10000;
 
-    int i, isign, l, nl;
-    double a, b, br, bi, c, cr, ci, d, del, del1, den, di, dlr, dli, dr, e, f, fact, fact2,
-    fact3, ff, gam, gam1, gam2, gammi, gampl, h, p, pimu, pimu2, q, r, rjl,
-    rjl1, rjmu, rjp1, rjpl, rjtemp, ry1, rymu, rymup, rytemp, sum, sum1,
-    temp, w, x2, xi, xi2;
+    // May need some annotations to each variable
+    int i = 0, isign = 0, l = 0, nl = 0;
+    double a = 0.0;
+    double b = 0.0, br = 0.0, bi = 0.0;
+    double c = 0.0, cr = 0.0, ci = 0.0;
+    double d = 0.0;
+    double del = 0.0, del1 = 0.0;
+    double den = 0.0, di = 0.0, dlr = 0.0, dli = 0.0, dr = 0.0;
+    double e = 0.0, f = 0.0;
+    double fact = 0.0, fact2 = 0.0, fact3 = 0.0;
+    double ff = 0.0;
+    double gam = 0.0, gam1 = 0.0, gam2 = 0.0, gammi = 0.0, gampl = 0.0;
+    double h = 0.0;
+    double p = 0.0, pimu = 0.0, pimu2 = 0.0;
+    double q = 0.0, r = 0.0;
+    double rjl = 0.0, rjl1 = 0.0, rjmu = 0.0, rjp1 = 0.0, rjpl = 0.0, rjtemp = 0.0;
+    double ry1 = 0.0, rymu = 0.0, rymup = 0.0, rytemp = 0.0;
+    double sum = 0.0, sum1 = 0.0;
+    double temp = 0.0, w = 0.0;
+    double x2 = 0.0, xi = 0.0, xi2 = 0.0;
 
     if (x <= 0.0 || xnu < 0.0)
     {
@@ -251,7 +266,7 @@ void Sphbes::BESCHB(double x, double *gam1, double *gam2, double *gampl, double
 {
     const int NUSE1 = 7;
     const int NUSE2 = 8;
-    double xx;
+    double xx = 0;
     static double c1[] = {   -1.142022680371168e0, 6.5165112670737e-3,
                              3.087090173086e-4, -3.4706269649e-6,
                              6.9437664e-9, 3.67795e-11, -1.356e-13
@@ -301,7 +316,7 @@ double Sphbes::Spherical_Bessel_7(const int n, const double &x)
         if (n!=0) return 0;
         if (n==0) return 1;
     }
-    double order, rj, rjp, ry, ryp;
+    double order = 0.0, rj = 0.0, rjp = 0.0, ry = 0.0, ryp = 0.0;
 
     if (n < 0 || x <= 0.0)
     {
@@ -689,7 +704,7 @@ double Sphbes::_sphbesj_ascending_recurrence(int l, double x) {
     double j0 = std::sin(x) * invx;
     double j1 = ( j0 - std::cos(x) ) * invx;
 
-    double jl;
+    double jl = 0.0;
     for (int i = 2; i <= l; ++i) {
         jl = (2*i-1) * invx * j1 - j0;
         j0 = j1;
@@ -838,9 +853,9 @@ void Sphbes::sphbes_zeros(const int l, const int n, double* const zeros, const b
         buffer[i] = (i+1) * PI;
     }
 
-    int ll; // active l
+    int ll = 0; // active l
     auto jl = [&ll] (double x) { return sphbesj(ll, x); };
-    int stride;
+    int stride = 0;
     std::function<void()> copy_if_needed;
     int offset = 0; // keeps track of the position in zeros for next copy (used when return_all == true)
     if (return_all)
@@ -883,7 +898,7 @@ double Sphbes::illinois(std::function<double(double)> func, double x0, double x1
     }
 
     int iter = 0;
-    double x, f;
+    double x = 0.0, f = 0.0;
     while (++iter <= max_iter && std::abs(f1) > tol)
     {
         // regula falsi

source/module_base/mathzone_add1.cpp

@@ -187,9 +187,9 @@ double Mathzone_Add1::Uni_RadialF
 	const double& newr
 )
 {
-  	double h1, h2, h3, f1, f2, f3, f4;
-  	double g1, g2, x1, x2, y1, y2, f;
-  	double result;
+  	double h1 = 0.0, h2 = 0.0, h3 = 0.0, f1 = 0.0, f2 = 0.0, f3 = 0.0, f4 = 0.0;
+  	double g1 = 0.0, g2 = 0.0, x1 = 0.0, x2 = 0.0, y1 = 0.0, y2 = 0.0, f = 0.0;
+  	double result = 0.0;
 	double rmax = (msh-1) * dr;
 
   	if (newr < 0.0)
@@ -366,8 +366,8 @@ void Mathzone_Add1::Uni_Deriv_Phi
 	//fftw_destroy_plan(p2);
 #endif
 
-	bool is_re;
-	double fac;
+	bool is_re = true;
+	double fac = 0.0;
 	if (nd % 4 == 0) 
 	{
 		is_re = true; 

source/module_base/module_mixing/broyden_mixing.cpp

@@ -197,4 +197,4 @@ void Broyden_Mixing::tem_cal_coef(const Mixing_Data& mdata, std::function<double
     }
     ModuleBase::timer::tick("Charge", "Broyden_mixing");
 };
-} // namespace Base_Mixing
+} // namespace Base_Mixing

source/module_base/module_mixing/pulay_mixing.cpp

@@ -179,4 +179,4 @@ void Pulay_Mixing::tem_cal_coef(const Mixing_Data& mdata, std::function<double(F
 
     ModuleBase::timer::tick("Charge", "Pulay_mixing");
 };
-} // namespace Base_Mixing
+} // namespace Base_Mixing

source/module_base/mymath.cpp

@@ -7,8 +7,8 @@ namespace ModuleBase
 
 void heapAjust(double *r, int *ind, int s, int m)
 {
-    int j, ic;
-    double rc;
+    int j = 0, ic = 0;
+    double rc = 0.0;
     rc = r[s];
     ic = ind[s];
 
@@ -36,8 +36,8 @@ void heapAjust(double *r, int *ind, int s, int m)
 void heapsort(const int n, double *r, int *ind)
 {
     ModuleBase::timer::tick("mymath", "heapsort");
-    int i, ic;
-    double rc;
+    int i = 0, ic = 0;
+    double rc = 0.0;
 
     if (ind[0] == 0)
     {
@@ -89,8 +89,8 @@ c adapted from Numerical Recipes pg. 329 (new edition)
 // from hpsort.f90
 void hpsort(int n, double *ra, int *ind)
 {
-    int i, ir, j, k, iind;
-    double rra;
+    int i = 0, ir = 0, j = 0, k = 0, iind = 0;
+    double rra = 0.0;
 
     if (ind[0] == 0)
     {

source/module_base/opt_DCsrch.cpp

@@ -165,10 +165,11 @@ int dcsrch(double& stp,
     double xtrapl = 1.1;
     double xtrapu = 4.0;
 
-    bool brackt;
-    int stage;
-    double finit, ftest, fm, fx, fxm, fy, fym, ginit, gtest, gm, gx, gxm, gy, gym, stx, sty, stmin, stmax, width,
-        width1;
+    bool brackt = false;
+    int stage = 0;
+    double finit = 0.0, ftest = 0.0, fm = 0.0, fx = 0.0, fxm = 0.0, fy = 0.0, fym = 0.0;
+    double ginit = 0.0, gtest = 0.0, gm = 0.0, gx = 0.0, gxm = 0.0, gy = 0.0, gym = 0.0;
+    double stx = 0.0, sty = 0.0, stmin = 0.0, stmax = 0.0, width = 0.0, width1 = 0.0;
 
     extern /* Subroutine */ void dcstep(double&,
                                         double&,
@@ -728,4 +729,4 @@ void Opt_DCsrch::dcSrch(double& f, double& g, double& rstp, char* rtask)
            this->isave_,
            this->dsave_);
 }
-} // namespace ModuleBase
+} // namespace ModuleBase

source/module_base/parallel_global.cpp

@@ -160,7 +160,7 @@ void Parallel_Global::read_mpi_parameters(int argc,char **argv)
 {
 #ifdef __MPI
 #ifdef _OPENMP
-	int provided;
+	int provided = 0;
 	MPI_Init_thread(&argc,&argv,MPI_THREAD_MULTIPLE,&provided);
 	if( provided != MPI_THREAD_MULTIPLE )
 		GlobalV::ofs_warning<<"MPI_Init_thread request "<<MPI_THREAD_MULTIPLE<<" but provide "<<provided<<std::endl;
@@ -186,7 +186,7 @@ void Parallel_Global::read_mpi_parameters(int argc,char **argv)
 #endif
     MPI_Comm shmcomm;
     MPI_Comm_split_type(MPI_COMM_WORLD, MPI_COMM_TYPE_SHARED, 0, MPI_INFO_NULL, &shmcomm);
-    int process_num, local_rank;
+    int process_num = 0, local_rank = 0;
     MPI_Comm_size(shmcomm, &process_num);
     MPI_Comm_rank(shmcomm, &local_rank);
     MPI_Comm_free(&shmcomm);

source/module_base/test/blacs_connector_test.cpp

@@ -19,12 +19,12 @@
 
 TEST(blacs_connector, Cblacs_gridinit)
 {
-    int icontxt;
+    int icontxt = 0;
     char layout[] = "ROW";
     int nprow = 1;
     int npcol = 1;
 
-    int myid, nprocs;
+    int myid = 0, nprocs = 0;
     Cblacs_pinfo(&myid, &nprocs);
     Cblacs_get(-1, 0, &icontxt);
 
@@ -37,8 +37,8 @@ TEST(blacs_connector, Cblacs_gridinit)
 
 int main(int argc, char** argv)
 {
-    int myrank;
-    int mysize;
+    int myrank = 0;
+    int mysize = 0;
 
     MPI_Init(&argc, &argv);
     MPI_Comm_size(MPI_COMM_WORLD, &mysize);

source/module_base/test/global_function_test.cpp

@@ -228,7 +228,7 @@ TEST_F(GlobalFunctionTest, OutV2)
     ModuleBase::GlobalFunc::OUT(ofs, "tmp_double", tmp_double);
     ModuleBase::GlobalFunc::OUT(ofs, "tmp_string", tmp_string);
     std::string para = "";
-    int length;
+    int length = 0;
     for (int i=0;i<50;i++)
     {
     	para += "a";
@@ -365,7 +365,7 @@ TEST_F(GlobalFunctionTest, ToString)
     EXPECT_EQ(ModuleBase::GlobalFunc::TO_STRING(tmp_double),"5");
     EXPECT_EQ(ModuleBase::GlobalFunc::TO_STRING(tmp_string),"string");
     std::string para = "";
-    int length;
+    int length = 0;
     for (int i=0;i<100;i++)
     {
     	para += "a";
@@ -451,7 +451,7 @@ TEST_F(GlobalFunctionTest, AutoSet)
     ModuleBase::GlobalFunc::AUTO_SET("tmp_d", tmp_d);
     ModuleBase::GlobalFunc::AUTO_SET("tmp_string", tmp_string);
     std::string para = "";
-    int length;
+    int length = 0;
     for (int i=0;i<10;i++)
     {
     	para += "a";
@@ -559,8 +559,8 @@ TEST_F(GlobalFunctionTest, ReadValue)
     ofs << "string" << std::endl;
     ofs.close();
     ifs.open("tmp");
-    int tmp_int;
-    double tmp_double;
+    int tmp_int = 0;
+    double tmp_double = 0.0;
     std::string tmp_string;
     // source/module_cell/read_atoms.cpp line 153:154
     ModuleBase::GlobalFunc::READ_VALUE(ifs, tmp_int);

source/module_base/test/math_sphbes_test.cpp

@@ -1,6 +1,7 @@
 #include "../math_sphbes.h"
 
 #include <cmath>
+#include <cstring> // Dependency for memset initialization
 #include <fstream>
 #include <iostream>
 
@@ -473,8 +474,9 @@ int main(int argc, char** argv)
 
 TEST_F(Sphbes, SphericalBesselsjp)
 {
-    int iii;
+    int iii = 0;
     double* sjp = new double[msh];
+    std::memset(sjp, 0, msh * sizeof(double));
     ModuleBase::Sphbes::Spherical_Bessel(msh, r, q, l0, jl, sjp);
     EXPECT_NEAR(mean(jl, msh) / 0.2084468748396, 1.0, doublethreshold);
     for (int iii = 0; iii < msh; ++iii)

source/module_base/test/tool_threading_test.cpp

@@ -39,8 +39,8 @@ TEST(ToolThreadingTEST, TastDist1DInt)
     int nw=1;
     int iw=1;
     int nt=16;
-    int st;
-    int le;
+    int st=0;
+    int le=0;
     ModuleBase::TASK_DIST_1D(nw,iw,nt,st,le);
     EXPECT_EQ(st,0);
     EXPECT_EQ(le,16);
@@ -81,8 +81,8 @@ TEST(ToolThreadingTEST, BlockTaskDist1DInt)
     int nw=1;
     int iw=1;
     int nt=16;
-    int st;
-    int le;
+    int st=0;
+    int le=0;
     int bs=1;
     ModuleBase:: BLOCK_TASK_DIST_1D(nw,iw,nt,bs,st,le);
     EXPECT_EQ(st,0);

source/module_base/timer.cpp

@@ -94,7 +94,7 @@ void timer::tick(const std::string &class_name,const std::string &name)
 		if(timer_one.start_flag)
 		{
 #ifdef __MPI
-			int is_initialized;
+			int is_initialized = 0;
     		MPI_Initialized(&is_initialized);
 			if(is_initialized)
 			{
@@ -109,7 +109,7 @@ void timer::tick(const std::string &class_name,const std::string &name)
 		else
 		{
 #ifdef __MPI
-			int is_initialized;
+			int is_initialized = 0;
     		MPI_Initialized(&is_initialized);
 			if(is_initialized)
 			{
@@ -144,11 +144,11 @@ void timer::write_to_json(std::string file_name)
 #ifdef __MPI
     // in some unit test, the mpi is not initialized, so we need to check it
 	// if mpi is not initialized, we do not run this function
-	int is_initialized;
+	int is_initialized = 0;
     MPI_Initialized(&is_initialized);
 	if (!is_initialized)
 		return;	
-	int my_rank;
+	int my_rank = 0;
 	MPI_Comm_rank(MPI_COMM_WORLD, &my_rank);
 	if (my_rank != 0)
 		return;

source/module_base/tool_check.cpp

@@ -29,7 +29,7 @@ void CHECK_NAME(std::ifstream &ifs,const std::string &name_in,bool quit)
 
 void CHECK_INT(std::ifstream &ifs,const int &v,bool quit)
 {
-	int v_in;
+	int v_in = 0;
 	ifs >> v_in;
 	if( v!= v_in)
 	{

source/module_basis/module_ao/ORB_gaunt_table.cpp

@@ -463,7 +463,7 @@ void ORB_gaunt_table::Swap(
 	int& l2, 
 	int & m2)
 {
-	int tmp1, tmp2;
+	int tmp1=0, tmp2=0;
 	if(l1 >= l2) return;
 	else
 	{