move functions, correct CMakeLists

Author: kirk0830

source/module_esolver/esolver_ks_lcao.cpp

@@ -563,26 +563,6 @@ void ESolver_KS_LCAO<TK, TR>::after_all_runners(UnitCell& ucell)
 #endif
         );
     }
-
-    if (PARAM.inp.out_mat_l[0])
-    {
-        ModuleIO::AngularMomentumExpectationCalculator mylcalculator(
-            PARAM.inp.orbital_dir,
-            GlobalC::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
-        );
-        mylcalculator.calculate(PARAM.inp.suffix,
-                                PARAM.inp.read_file_dir,
-                                GlobalC::ucell,
-                                PARAM.inp.out_mat_l[1],
-                                GlobalV::MY_RANK);
-    }
 
     ModuleBase::timer::tick("ESolver_KS_LCAO", "after_all_runners");
 }

source/module_esolver/lcao_after_scf.cpp

@@ -25,6 +25,7 @@
 #include "module_io/write_istate_info.h"
 #include "module_io/write_proj_band_lcao.h"
 #include "module_io/write_wfc_nao.h"
+#include "module_io/cal_pLpR.h"
 #include "module_parameter/parameter.h"
 
 //--------------temporary----------------------------
@@ -481,6 +482,26 @@ void ESolver_KS_LCAO<TK, TR>::after_scf(UnitCell& ucell, const int istep, const
         RA.delete_grid();
     }
 
+    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
+        );
+        mylcalculator.calculate(PARAM.inp.suffix,
+                                PARAM.inp.read_file_dir,
+                                ucell,
+                                PARAM.inp.out_mat_l[1],
+                                GlobalV::MY_RANK);
+    }
+
     ModuleBase::timer::tick("ESolver_KS_LCAO", "after_scf");
 }
 

source/module_io/test/CMakeLists.txt

@@ -278,7 +278,6 @@ AddTest(
   ../../module_basis/module_nao/pswfc_radials.cpp
   ../../module_basis/module_nao/atomic_radials.cpp
   ../../module_basis/module_nao/sphbes_radials.cpp
-  ../../module_basis/module_nao/projgen.cpp
   ../../module_basis/module_nao/two_center_integrator.cpp
   ../../module_basis/module_nao/two_center_table.cpp
   ../../module_basis/module_nao/real_gaunt_table.cpp