add value in the construct file

Author: A-006

source/module_basis/module_ao/parallel_orbitals.cpp

@@ -6,11 +6,20 @@
 
 Parallel_Orbitals::Parallel_Orbitals()
 {
-    loc_sizes = nullptr;
-
+    this->loc_sizes = nullptr;
     // in multi-k, 2D-block-division variables for FT (R<->k)
-    nlocdim = nullptr;
-    nlocstart = nullptr;
+    this->nlocdim = nullptr;
+    this->nlocstart = nullptr;
+    this->nnr = 1;
+    this->ncol_bands = 0;
+    this->nrow_bands=0;
+    this->nloc_wfc=0;
+    this->nloc_Eij=0;
+    this->lastband_in_proc=0;
+    this->lastband_number=0;
+    this->loc_size=0;
+    this->nbands = 0;
+
 }
 
 Parallel_Orbitals::~Parallel_Orbitals()

source/module_basis/module_ao/parallel_orbitals.h

@@ -13,17 +13,17 @@ class Parallel_Orbitals : public Parallel_2D
 
     /// local size of bands, used for 2d wavefunction
     /// must divided on dim1 because of elpa interface
-    int ncol_bands=0;
-    int nrow_bands=0;
+    int ncol_bands;
+    int nrow_bands;
 
     /// ncol_bands*nrow
-    long nloc_wfc=0;
+    long nloc_wfc;
 
     //ncol_bands*ncol_bands
-    long nloc_Eij=0;
+    long nloc_Eij;
 
-    int lastband_in_proc=0;
-	int lastband_number=0; 
+    int lastband_in_proc;
+	int lastband_number; 
 
     ///---------------------------------------
     /// number of elements(basis-pairs) in this processon
@@ -50,7 +50,7 @@ class Parallel_Orbitals : public Parallel_2D
 #endif
 
     int* loc_sizes;
-    int loc_size=0;
+    int loc_size;
 
     int get_wfc_global_nbands () const;
     int get_wfc_global_nbasis () const;
@@ -80,7 +80,7 @@ class Parallel_Orbitals : public Parallel_2D
 
     int get_nbands() const;
 
-    int nbands = 0;
+    int nbands;
 
     /**
      * @brief gather global indexes of orbitals in this processor

source/module_hamilt_general/module_vdw/vdwd2_parameters.h

@@ -23,6 +23,9 @@ class Vdwd2Parameters : public VdwParameters
     {
         C6_ = C6_default_;
         R0_ = R0_default_;
+        damping_ = 0.0;
+        scaling_ = 1.0;
+        radius_ = 0.0;
     }
 
     ~Vdwd2Parameters() = default;
@@ -47,9 +50,9 @@ class Vdwd2Parameters : public VdwParameters
     inline double scaling() const { return scaling_; }
 
   private:
-    double scaling_=0;
-    double damping_=0;
-    double radius_=0;
+    double scaling_;
+    double damping_;
+    double radius_;
     std::map<std::string, double> C6_;
     std::map<std::string, double> R0_;
     static const std::map<std::string, double> C6_default_;

source/module_md/fire.cpp

@@ -18,6 +18,8 @@ FIRE::FIRE(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, uni
     f_alpha = 0.99;
     n_min = 4;
     negative_count = 0;
+    max = 0.0;
+    force_thr = 1e-3;
 }
 
 FIRE::~FIRE()

source/module_md/fire.h

@@ -41,7 +41,7 @@ class FIRE : public MD_base
      */
     void check_fire(void);
 
-    double max=0.0;         ///< max force
+    double max;         ///< max force
     double alpha_start; ///< alpha_start begin
     double alpha;       ///< alpha begin
     double finc;        ///< finc begin
@@ -50,7 +50,7 @@ class FIRE : public MD_base
     int n_min;          ///< n_min
     double dt_max;      ///< dt_max
     int negative_count; ///< Negative count
-    double force_thr = 1.0e-3; ///< force convergence threshold in FIRE method
+    double force_thr;   ///< force convergence threshold in FIRE method
 };
 
 #endif

source/module_md/msst.cpp

@@ -21,7 +21,9 @@ MSST::MSST(const Parameter& param_in, UnitCell& unit_in) : MD_base(param_in, uni
     e0 = 0;
     v0 = 1;
     totmass = 0;
-
+    lag_pos = 0;
+    vsum = 0;
+    
     for (int i = 0; i < ucell.nat; ++i)
     {
         totmass += allmass[i];

source/module_md/msst.h

@@ -59,8 +59,8 @@ class MSST : public MD_base
     double v0;                            ///< initial volume
     double e0;                            ///< initial energy
     double totmass;                       ///< total mass of the cell
-    double lag_pos=0.0;                   ///< Lagrangian location of cell
-    double vsum=0.0;                      ///< sum over v^2
+    double lag_pos;                       ///< Lagrangian location of cell
+    double vsum;                          ///< sum over v^2
     double msst_vel;                      ///< shock msst_vel (\AA/fs)
     double msst_qmass;                    ///< cell mass-like parameter (mass^2/length^4)
     double msst_vis;                      ///< artificial msst_vis (mass/length/time)