update annotation and shorten the class name

Author: kirk0830

source/module_esolver/lcao_after_scf.cpp

@@ -482,24 +482,27 @@ void ESolver_KS_LCAO<TK, TR>::after_scf(UnitCell& ucell, const int istep, const
         RA.delete_grid();
     }
 
+    //------------------------------------------------------------------
+    //! 20) calculate expectation of angular momentum operator in LCAO basis
+    //------------------------------------------------------------------
     if (PARAM.inp.out_mat_l[0])
     {
-        ModuleIO::AngularMomentumExpectationCalculator mylcalculator(
-            PARAM.inp.orbital_dir,
-            ucell,
-            PARAM.inp.search_radius,
-            PARAM.inp.test_deconstructor,
-            PARAM.inp.test_grid,
-            PARAM.inp.test_atom_input,
-            PARAM.inp.search_pbc,
-            &GlobalV::ofs_running,
-            GlobalV::MY_RANK
+        ModuleIO::AngularMomentumCalculator mylcalculator(
+            /*orbital_dir=*/PARAM.inp.orbital_dir,
+            /*ucell=*/ucell,
+            /*search_radius=*/PARAM.inp.search_radius,
+            /*test_deconstructor=*/PARAM.inp.test_deconstructor,
+            /*test_grid=*/PARAM.inp.test_grid,
+            /*test_atom_input=*/PARAM.inp.test_atom_input,
+            /*search_pbc=*/PARAM.inp.search_pbc,
+            /*ofs=*/&GlobalV::ofs_running,
+            /*rank=*/GlobalV::MY_RANK
         );
-        mylcalculator.calculate(PARAM.inp.suffix,
-                                PARAM.inp.read_file_dir,
-                                ucell,
-                                PARAM.inp.out_mat_l[1],
-                                GlobalV::MY_RANK);
+        mylcalculator.calculate(/*suffix=*/PARAM.inp.suffix,
+                                /*outdir=*/PARAM.globalv.global_out_dir,
+                                /*ucell=*/ucell,
+                                /*precision=*/PARAM.inp.out_mat_l[1],
+                                /*rank=*/GlobalV::MY_RANK);
     }
 
     ModuleBase::timer::tick("ESolver_KS_LCAO", "after_scf");

source/module_io/cal_pLpR.cpp

@@ -89,7 +89,7 @@ std::complex<double> ModuleIO::cal_LxijR(
     return std::complex<double>(0.5) * (val_plus + val_minus);
 }
 
-ModuleIO::AngularMomentumExpectationCalculator::AngularMomentumExpectationCalculator(
+ModuleIO::AngularMomentumCalculator::AngularMomentumCalculator(
     const std::string& orbital_dir,
     const UnitCell& ucell,
     const double& search_radius,
@@ -165,7 +165,7 @@ ModuleIO::AngularMomentumExpectationCalculator::AngularMomentumExpectationCalcul
                          tatom);
 }
 
-void ModuleIO::AngularMomentumExpectationCalculator::kernel(
+void ModuleIO::AngularMomentumCalculator::kernel(
     std::ofstream* ofs,
     const UnitCell& ucell,
     const char dir,
@@ -253,7 +253,7 @@ void ModuleIO::AngularMomentumExpectationCalculator::kernel(
     }
 }
 
-void ModuleIO::AngularMomentumExpectationCalculator::calculate(
+void ModuleIO::AngularMomentumCalculator::calculate(
     const std::string& prefix,
     const std::string& outdir,
     const UnitCell& ucell,

source/module_io/cal_pLpR.h

@@ -157,11 +157,11 @@ namespace ModuleIO
     // im and jm are indexes of the magnetic quantum numbers.
     // The output is a complex number, which is the value of the matrix element.
     // Always the matrix is quite large, so direct print to file.
-    class AngularMomentumExpectationCalculator
+    class AngularMomentumCalculator
     {
         public:
             // the default constructor is meaningless
-            AngularMomentumExpectationCalculator() = delete;
+            AngularMomentumCalculator() = delete;
             /**
              * @brief Construct a new Angular Momentum Expectation Calculator object
              * 
@@ -174,7 +174,7 @@ namespace ModuleIO
              * @param searchpbc 
              * @param ptr_log pointer to the ofstream object for logging
              */
-            AngularMomentumExpectationCalculator(
+            AngularMomentumCalculator(
                 const std::string& orbital_dir,
                 const UnitCell& ucell,
                 const double& search_radius,
@@ -184,7 +184,7 @@ namespace ModuleIO
                 const bool searchpbc,
                 std::ofstream* ptr_log = nullptr,
                 const int rank = 0);
-            ~AngularMomentumExpectationCalculator() = default;
+            ~AngularMomentumCalculator() = default;
 
             void calculate(const std::string& prefix,
                            const std::string& outdir,