Change beforeiter/afteriter to beforescf/afterscf

Author: Qianruipku

source/module_esolver/esolver_ks.cpp

@@ -42,7 +42,7 @@ void ESolver_KS:: Run(int istep, UnitCell_pseudo& cell)
     ModuleBase::timer:: tick(this->classname,"Run");
 
     this->printhead(); //print the headline on the screen.
-    this->beforeiter(); //Something else to do before the iter loop
+    this->beforescf(); //Something else to do before the iter loop
 
     bool firstscf = true;
     bool conv_elec = false;
@@ -96,7 +96,7 @@ void ESolver_KS:: Run(int istep, UnitCell_pseudo& cell)
             break;
         }  
     }
-    afteriter(conv_elec); 
+    afterscf(conv_elec); 
 
     ModuleBase::timer:: tick(this->classname,"Run");
     return;

source/module_esolver/esolver_ks.h

@@ -28,14 +28,14 @@ class ESolver_KS: public ESolver_FP
         virtual int getniter() override;
 
     protected:
-        // Something to do before iter loop
-        virtual void beforeiter(){}; 
+        // Something to do before SCF iterations.
+        virtual void beforescf(){}; 
         // Something to do before hamilt2density function in each iter loop.
         virtual void eachiterinit(int iter){}; 
         // Something to do after hamilt2density function in each iter loop.
         virtual void eachiterfinish(int iter, bool conv){}; 
-        // Something to do after the iter loop when scf is converged or comes to the max iter step.
-        virtual void afteriter(bool){};
+        // Something to do after SCF iterations when SCF is converged or comes to the max iter step.
+        virtual void afterscf(bool conv){};
         // <Temporary> It should be replaced by a function in Hamilt Class
         virtual void updatepot(bool conv){};
 

source/module_esolver/esolver_ks_pw.cpp

@@ -180,7 +180,7 @@ void ESolver_KS_PW::Init(Input &inp, UnitCell_pseudo &ucell)
 
 }
 
-void ESolver_KS_PW:: beforeiter()
+void ESolver_KS_PW:: beforescf()
 {
     //calculate ewald energy
     H_Ewald_pw::compute_ewald(GlobalC::ucell, GlobalC::pw);
@@ -352,7 +352,7 @@ void ESolver_KS_PW:: eachiterfinish(int iter, bool conv_elec)
 }
 
 
-void ESolver_KS_PW::afteriter(bool conv_elec)
+void ESolver_KS_PW::afterscf(bool conv_elec)
 {
 #ifdef __LCAO
     if(GlobalC::chi0_hilbert.epsilon)                 // pengfei 2016-11-23

source/module_esolver/esolver_ks_pw.h

@@ -20,12 +20,12 @@ class ESolver_KS_PW: public ESolver_KS
     void cal_Stress(ModuleBase::matrix &stress) override;
 
 protected:
-    virtual void beforeiter() override; 
+    virtual void beforescf() override; 
     virtual void eachiterinit(int iter) override; 
     virtual void hamilt2density(int istep, int iter, double ethr) override;
     virtual void updatepot(bool conv) override;
     virtual void eachiterfinish(int iter, bool conv) override; 
-    virtual void afteriter(bool) override;
+    virtual void afterscf(bool) override;
 
     // <Temporary> Get wavefunctions and eigen energies. 
     // It should be replaced by diag class in HSolver module in the future