refactor(dftu): rename protected copy/zero/mix/set_locale -> *_occ_mat (Step 4/5)

Rename the four protected internal helpers of Plus_U_Base and their
ModuleBase::TITLE / timer tag strings for consistency:
  copy_locale(ucell)             -> copy_occ_mat(ucell)
  zero_locale(ucell)             -> zero_occ_mat(ucell)
  mix_locale(ucell, mixing_beta) -> mix_occ_mat(ucell, mixing_beta)
  set_locale(ucell)              -> set_occ_mat(ucell)

The single-argument batch setter set_occ_mat(const UnitCell&) now
overloads the public element-wise setter set_occ_mat(iat,l,n,spin,m1,m2,val)
with a different signature — no ambiguity, no change to callers.

Declarations (dftu_base.h), definitions + internal call sites in
dftu_base.cpp (init_base flow, also all TITLE/timer labels), and
call sites in cal_occ_pw (dftu_pw.cpp) and cal_occup_m_{k,gamma}
(dftu_occup.cpp) are all updated together.

4 files changed, 32 insertions(+), 32 deletions(-).

Author: abacus_fixer

source/source_lcao/module_dftu/dftu_occup.cpp

@@ -6,7 +6,7 @@
 #endif
 #include "source_base/module_external/scalapack_connector.h"
 
-// copy_locale(), zero_locale(), mix_locale(), set_locale(ucell),
+// copy_occ_mat(), zero_occ_mat(), mix_occ_mat(), set_locale(ucell),
 // get_locale_flat(), set_locale_flat()
 // are now implemented in dftu_base.cpp as Plus_U_Base methods (inherited by Plus_U).
 
@@ -22,8 +22,8 @@ void Plus_U::cal_occup_m_k(const int iter,
     ModuleBase::TITLE("Plus_U", "cal_occup_m_k");
     ModuleBase::timer::start("Plus_U", "cal_occup_m_k");
 
-    this->copy_locale(ucell);
-    this->zero_locale(ucell);
+    this->copy_occ_mat(ucell);
+    this->zero_occ_mat(ucell);
 
     //=================Part 1======================
     // call SCALAPACK routine to calculate the product of the S and density matrix
@@ -238,7 +238,7 @@ void Plus_U::cal_occup_m_k(const int iter,
 
     if(is_mixing_enabled() && is_occ_mat_initialized())
     {
-        this->mix_locale(ucell,mixing_beta);
+        this->mix_occ_mat(ucell,mixing_beta);
     }
 
     mark_occ_mat_initialized();
@@ -254,8 +254,8 @@ void Plus_U::cal_occup_m_gamma(const int iter,
 {
     ModuleBase::TITLE("Plus_U", "cal_occup_m_gamma");
     ModuleBase::timer::start("Plus_U", "cal_occup_m_gamma");
-    this->copy_locale(ucell);
-    this->zero_locale(ucell);
+    this->copy_occ_mat(ucell);
+    this->zero_occ_mat(ucell);
 
     //=================Part 1======================
     // call PBLAS routine to calculate the product of the S and density matrix
@@ -395,7 +395,7 @@ void Plus_U::cal_occup_m_gamma(const int iter,
 
     if(is_mixing_enabled() && is_occ_mat_initialized())
     {
-        this->mix_locale(ucell,mixing_beta);
+        this->mix_occ_mat(ucell,mixing_beta);
     }
 
     mark_occ_mat_initialized();

source/source_pw/module_pwdft/dftu_base.cpp

@@ -239,7 +239,7 @@ void Plus_U_Base::init_base(UnitCell& cell,
 #endif
 
         mark_occ_mat_initialized();
-        this->copy_locale(cell);
+        this->copy_occ_mat(cell);
     }
     else
     {
@@ -255,7 +255,7 @@ void Plus_U_Base::init_base(UnitCell& cell,
         }
         else
         {
-            this->zero_locale(cell);
+            this->zero_occ_mat(cell);
         }
     }
 
@@ -307,10 +307,10 @@ bool Plus_U_Base::u_converged()
 
 
 // copy_locale — save current occ_mat to occ_mat_save and uom_save
-void Plus_U_Base::copy_locale(const UnitCell& ucell)
+void Plus_U_Base::copy_occ_mat(const UnitCell& ucell)
 {
-    ModuleBase::TITLE("Plus_U_Base", "copy_locale");
-    ModuleBase::timer::start("Plus_U_Base", "copy_locale");
+    ModuleBase::TITLE("Plus_U_Base", "copy_occ_mat");
+    ModuleBase::timer::start("Plus_U_Base", "copy_occ_mat");
 
     for (int T = 0; T < ucell.ntype; T++)
     {
@@ -351,14 +351,14 @@ void Plus_U_Base::copy_locale(const UnitCell& ucell)
             }
         }
     }
-    ModuleBase::timer::end("Plus_U_Base", "copy_locale");
+    ModuleBase::timer::end("Plus_U_Base", "copy_occ_mat");
 }
 
 
-void Plus_U_Base::zero_locale(const UnitCell& ucell)
+void Plus_U_Base::zero_occ_mat(const UnitCell& ucell)
 {
-    ModuleBase::TITLE("Plus_U_Base", "zero_locale");
-    ModuleBase::timer::start("Plus_U_Base", "zero_locale");
+    ModuleBase::TITLE("Plus_U_Base", "zero_occ_mat");
+    ModuleBase::timer::start("Plus_U_Base", "zero_occ_mat");
 
     for (int T = 0; T < ucell.ntype; T++)
     {
@@ -390,15 +390,15 @@ void Plus_U_Base::zero_locale(const UnitCell& ucell)
             }
         }
     }
-    ModuleBase::timer::end("Plus_U_Base", "zero_locale");
+    ModuleBase::timer::end("Plus_U_Base", "zero_occ_mat");
 }
 
 
-void Plus_U_Base::mix_locale(const UnitCell& ucell,
+void Plus_U_Base::mix_occ_mat(const UnitCell& ucell,
                               const double& mixing_beta)
 {
-    ModuleBase::TITLE("Plus_U_Base", "mix_locale");
-    ModuleBase::timer::start("Plus_U_Base", "mix_locale");
+    ModuleBase::TITLE("Plus_U_Base", "mix_occ_mat");
+    ModuleBase::timer::start("Plus_U_Base", "mix_occ_mat");
 
     double beta = mixing_beta;
 
@@ -447,14 +447,14 @@ void Plus_U_Base::mix_locale(const UnitCell& ucell,
             }
         }
     }
-    ModuleBase::timer::end("Plus_U_Base", "mix_locale");
+    ModuleBase::timer::end("Plus_U_Base", "mix_occ_mat");
 }
 
 
-void Plus_U_Base::set_locale(const UnitCell& ucell)
+void Plus_U_Base::set_occ_mat(const UnitCell& ucell)
 {
-    ModuleBase::TITLE("Plus_U_Base", "set_locale");
-    ModuleBase::timer::start("Plus_U_Base", "set_locale");
+    ModuleBase::TITLE("Plus_U_Base", "set_occ_mat");
+    ModuleBase::timer::start("Plus_U_Base", "set_occ_mat");
 
     for (int T = 0; T < ucell.ntype; T++)
     {
@@ -483,7 +483,7 @@ void Plus_U_Base::set_locale(const UnitCell& ucell)
         }
     }
 
-    ModuleBase::timer::end("Plus_U_Base", "set_locale");
+    ModuleBase::timer::end("Plus_U_Base", "set_occ_mat");
 }
 
 

source/source_pw/module_pwdft/dftu_base.h

@@ -145,10 +145,10 @@ class Plus_U_Base
     static void enable_mixing() { mixing_dftu = 1; }
 
   protected:
-    void copy_locale(const UnitCell& ucell);
-    void zero_locale(const UnitCell& ucell);
-    void mix_locale(const UnitCell& ucell, const double& mixing_beta);
-    void set_locale(const UnitCell& ucell);
+    void copy_occ_mat(const UnitCell& ucell);
+    void zero_occ_mat(const UnitCell& ucell);
+    void mix_occ_mat(const UnitCell& ucell, const double& mixing_beta);
+    void set_occ_mat(const UnitCell& ucell);
 
     std::vector<std::complex<double>> eff_pot_pw;
     std::vector<int> eff_pot_pw_index;

source/source_pw/module_pwdft/dftu_pw.cpp

@@ -26,8 +26,8 @@ void Plus_U_Base::cal_occ_pw(const int iter,
             const int* isk)
 {
     ModuleBase::timer::start("Plus_U_Base", "cal_occ_pw");
-    this->copy_locale(cell);
-    this->zero_locale(cell);
+    this->copy_occ_mat(cell);
+    this->zero_occ_mat(cell);
 
     if(this->device == "cpu")
     {
@@ -243,7 +243,7 @@ void Plus_U_Base::cal_occ_pw(const int iter,
     if(is_mixing_enabled() && p_chgmix != nullptr)
     {
         p_chgmix->mix_uom(this->uom_array, this->uom_save);
-        this->set_locale(cell);
+        this->set_occ_mat(cell);
     }
 
     Plus_U_Base::energy_u = 0.0;