initialize the variables and use doxygen-style notes

Author: WHUweiqingzhou

source/module_elecstate/module_charge/charge_mixing_preconditioner.cpp

@@ -9,17 +9,19 @@ void Charge_Mixing::Kerker_screen_recip(std::complex<double>* drhog)
     if (this->mixing_gg0 <= 0.0 || this->mixing_beta <= 0.1) {
         return;
 }
-    double fac, gg0, amin;
+    double fac = 0.0;
+    double gg0 = 0.0;
+    double amin = 0.0;
 
-    // consider a resize for mixing_angle
+    /// consider a resize for mixing_angle
     int resize_tmp = 1;
     if (PARAM.inp.nspin == 4 && this->mixing_angle > 0) { resize_tmp = 2;
 }
 
-    // implement Kerker for density and magnetization separately
+    /// implement Kerker for density and magnetization separately
     for (int is = 0; is < PARAM.inp.nspin / resize_tmp; ++is)
     {
-        // new mixing method only support nspin=2 not nspin=4
+        /// new mixing method only support nspin=2 not nspin=4
         if (is >= 1)
         {
             if (this->mixing_gg0_mag <= 0.0001 || this->mixing_beta_mag <= 0.1)
@@ -62,11 +64,11 @@ void Charge_Mixing::Kerker_screen_real(double* drhor)
     if (this->mixing_gg0 <= 0.0001 || this->mixing_beta <= 0.1) {
         return;
 }
-    // consider a resize for mixing_angle
+    /// consider a resize for mixing_angle
     int resize_tmp = 1;
     if (PARAM.inp.nspin == 4 && this->mixing_angle > 0) { resize_tmp = 2;
 }
-    //
+    
     std::vector<std::complex<double>> drhog(this->rhopw->npw * PARAM.inp.nspin / resize_tmp);
     std::vector<double> drhor_filter(this->rhopw->nrxx * PARAM.inp.nspin / resize_tmp);
     for (int is = 0; is < PARAM.inp.nspin / resize_tmp; ++is)
@@ -75,8 +77,11 @@ void Charge_Mixing::Kerker_screen_real(double* drhor)
         // Thus we cannot use Kerker_screen_recip(drhog.data()) directly after it.
         this->rhopw->real2recip(drhor + is * this->rhopw->nrxx, drhog.data() + is * this->rhopw->npw);
     }
-    // implement Kerker for density and magnetization separately
-    double fac, gg0, amin;
+    /// implement Kerker for density and magnetization separately
+    double fac = 0.0;
+    double gg0 = 0.0;
+    double amin = 0.0;
+
     for (int is = 0; is < PARAM.inp.nspin / resize_tmp; is++)
     {
 
@@ -85,7 +90,7 @@ void Charge_Mixing::Kerker_screen_real(double* drhor)
             if (this->mixing_gg0_mag <= 0.0001 || this->mixing_beta_mag <= 0.1)
             {
 #ifdef __DEBUG
-                assert(is == 1); // make sure break works
+                assert(is == 1); /// make sure break works
 #endif
                 double is_mag = PARAM.inp.nspin - 1;
                 if (PARAM.inp.nspin == 4 && this->mixing_angle > 0) { is_mag = 1;
@@ -122,7 +127,7 @@ void Charge_Mixing::Kerker_screen_real(double* drhor)
             drhog[is * this->rhopw->npw + ig] *= (1 - filter_g);
         }
     }
-    // inverse FT
+    /// inverse FT
     for (int is = 0; is < PARAM.inp.nspin / resize_tmp; ++is)
     {
         this->rhopw->recip2real(drhog.data() + is * this->rhopw->npw, drhor_filter.data() + is * this->rhopw->nrxx);