update estate

Author: mohanchen

source/Makefile.Objects

@@ -252,7 +252,6 @@ OBJS_ELECSTAT=elecstate.o\
     update_pot.o\
 
 OBJS_ELECSTAT_LCAO=elecstate_lcao.o\
-      elecstate_lcao_cal_tau.o\
       setup_dm.o\
       density_matrix.o\
       density_matrix_io.o\

source/source_estate/CMakeLists.txt

@@ -45,7 +45,6 @@ list(APPEND objects
 if(ENABLE_LCAO)
   list(APPEND objects
       elecstate_lcao.cpp
-      elecstate_lcao_cal_tau.cpp
       module_pot/H_TDDFT_pw.cpp
       module_dm/setup_dm.cpp
       module_dm/density_matrix.cpp

source/source_estate/elecstate.cpp

@@ -54,13 +54,13 @@ void ElecState::init_scf(const int istep,
 }
 
 
-void ElecState::init_ks(Charge* chg_in, // pointer for class Charge
+void ElecState::init_ks(Charge* chr_in, // pointer for class Charge
                         const K_Vectors* klist_in,
                         int nk_in,
                         ModulePW::PW_Basis* rhopw_in,
                         const ModulePW::PW_Basis_Big* bigpw_in)
 {
-    this->charge = chg_in;
+    this->charge = chr_in;
     this->klist = klist_in;
     this->charge->set_rhopw(rhopw_in);
     this->bigpw = bigpw_in;

source/source_estate/elecstate.h

@@ -17,9 +17,9 @@ class ElecState
     ElecState()
     {
     }
-    ElecState(Charge* charge_in, ModulePW::PW_Basis* rhopw_in, ModulePW::PW_Basis_Big* bigpw_in)
+    ElecState(Charge* chr_in, ModulePW::PW_Basis* rhopw_in, ModulePW::PW_Basis_Big* bigpw_in)
     {
-        this->charge = charge_in;
+        this->charge = chr_in;
         this->charge->set_rhopw(rhopw_in);
         this->bigpw = bigpw_in;
         this->eferm.two_efermi = PARAM.globalv.two_fermi;
@@ -32,7 +32,7 @@ class ElecState
             this->pot = nullptr;
         }
     }
-    void init_ks(Charge* chg_in, // pointer for class Charge
+    void init_ks(Charge* chr_in, // pointer for class Charge
                  const K_Vectors* klist_in,
                  int nk_in, // number of k points
                  ModulePW::PW_Basis* rhopw_in,

source/source_estate/elecstate_lcao.h

@@ -15,13 +15,13 @@ class ElecStateLCAO : public ElecState
     ElecStateLCAO()
     {
     } // will be called by ElecStateLCAO_TDDFT
-    ElecStateLCAO(Charge* chg_in,
+    ElecStateLCAO(Charge* chr_in,
                   const K_Vectors* klist_in,
                   int nks_in,
                   ModulePW::PW_Basis* rhopw_in,
                   ModulePW::PW_Basis_Big* bigpw_in)
     {
-        init_ks(chg_in, klist_in, nks_in, rhopw_in, bigpw_in);
+        init_ks(chr_in, klist_in, nks_in, rhopw_in, bigpw_in);
         this->classname = "ElecStateLCAO";
     }
 

source/source_estate/elecstate_lcao_cal_tau.cpp

@@ -13,7 +13,7 @@ namespace elecstate {
 
 template <typename T, typename Device>
 ElecStatePW<T, Device>::ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
-                                    Charge* chg_in,
+                                    Charge* chr_in,
                                     K_Vectors* pkv_in,
                                     UnitCell* ucell_in,
                                     pseudopot_cell_vnl* ppcell_in,
@@ -26,7 +26,7 @@ ElecStatePW<T, Device>::ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
     this->rhopw_smooth = rhopw_in;
     this->ppcell = ppcell_in;
     this->ucell = ucell_in;
-    this->init_ks(chg_in, pkv_in, pkv_in->get_nks(), rhodpw_in, bigpw_in);
+    this->init_ks(chr_in, pkv_in, pkv_in->get_nks(), rhodpw_in, bigpw_in);
 }
 
 template<typename T, typename Device>

source/source_estate/elecstate_pw.cpp

@@ -20,7 +20,7 @@ class ElecStatePW : public ElecState
 
   public:
     ElecStatePW(ModulePW::PW_Basis_K* wfc_basis_in,
-                Charge* chg_in,
+                Charge* chr_in,
                 K_Vectors* pkv_in,
                 UnitCell* ucell_in,
                 pseudopot_cell_vnl* ppcell_in,

source/source_estate/elecstate_pw.h

@@ -8,15 +8,15 @@ class ElecStatePW_SDFT : public ElecStatePW<T, Device>
 {
   public:
     ElecStatePW_SDFT(ModulePW::PW_Basis_K* wfc_basis_in,
-                     Charge* chg_in,
+                     Charge* chr_in,
                      K_Vectors* pkv_in,
                      UnitCell* ucell_in,
                      pseudopot_cell_vnl* ppcell_in,
                      ModulePW::PW_Basis* rhodpw_in,
                      ModulePW::PW_Basis* rhopw_in,
                      ModulePW::PW_Basis_Big* bigpw_in)
         : ElecStatePW<T,
-                      Device>(wfc_basis_in, chg_in, pkv_in, ucell_in, ppcell_in, rhodpw_in, rhopw_in, bigpw_in)
+                      Device>(wfc_basis_in, chr_in, pkv_in, ucell_in, ppcell_in, rhodpw_in, rhopw_in, bigpw_in)
     {
         this->classname = "ElecStatePW_SDFT";
     }
@@ -27,4 +27,4 @@ class ElecStatePW_SDFT : public ElecStatePW<T, Device>
     using castmem_var_d2h_op = base_device::memory::cast_memory_op<double, Real, base_device::DEVICE_CPU, Device>;
 };
 } // namespace elecstate
-#endif
+#endif