move Name_Angular from constant.h to energy.h

Author: jiyuang

source/module_base/constants.h

@@ -95,15 +95,6 @@ const double RYDBERG_SI =  HARTREE_SI/2.0; //J
 // zero up to a given accuracy
 //const double epsr  = 1.0e-6;
 const double threshold_wg  = 1.0e-14;
-
-const std::string Name_Angular[5][11] = 
-{
-    {"s"},
-    {"px", "py", "pz"},
-    {"d3z^2-r^2", "dxy", "dxz", "dx^2-y^2", "dyz"},
-    {"f5z^2-3r^2", "f5xz^2-xr^2", "f5yz^2-yr^2", "fzx^2-zy^2", "fxyz", "fx^3-3*xy^2", "f3yx^2-y^3"},
-    {"g1", "g2", "g3", "g4", "g5", "g6", "g7", "g8", "g9"}
-};
 }
 
 #endif 

source/src_io/energy_dos.cpp

@@ -553,7 +553,7 @@ void energy::perform_dos(Local_Orbital_wfc &lowf, LCAO_Hamilt &uhm)
 					 const int m1 = atom1->iw2m[j];
 					 out <<std::setw(5) << i << std::setw(8) 
 						<< GlobalC::ucell.atoms[t].label <<std::setw(5)
-							<<L1<<std::setw(5) <<m1<<std::setw(5)<<N1+1<<std::setw(15)<< ModuleBase::Name_Angular[L1][m1] << std::endl;
+							<<L1<<std::setw(5) <<m1<<std::setw(5)<<N1+1<<std::setw(15)<< GlobalC::en.Name_Angular[L1][m1] << std::endl;
 				 }
 			 }
 			 out <<std::endl<<std::endl;
@@ -910,7 +910,7 @@ void energy::perform_dos(Local_Orbital_wfc &lowf, LCAO_Hamilt &uhm)
 					 const int m1 = atom1->iw2m[j];
 					 out <<std::setw(5) << i << std::setw(8) 
 						<< GlobalC::ucell.atoms[t].label <<std::setw(5)
-							<<L1<<std::setw(5) <<m1<<std::setw(5)<<N1+1<<std::setw(15)<< ModuleBase::Name_Angular[L1][m1] << std::endl;
+							<<L1<<std::setw(5) <<m1<<std::setw(5)<<N1+1<<std::setw(15)<< GlobalC::en.Name_Angular[L1][m1] << std::endl;
 				 }
 			 }
 			 out <<std::endl<<std::endl;

source/src_pw/energy.h

@@ -58,6 +58,14 @@ class energy
 
 	int out_dos;			// control dos calculation
 	int out_band;                    // control band calculation  pengfei 2014-10-13
+	const std::string Name_Angular[5][11] = 
+	{
+    	{"s"},
+    	{"px", "py", "pz"},
+    	{"d3z^2-r^2", "dxy", "dxz", "dx^2-y^2", "dyz"},
+    	{"f5z^2-3r^2", "f5xz^2-xr^2", "f5yz^2-yr^2", "fzx^2-zy^2", "fxyz", "fx^3-3*xy^2", "f3yx^2-y^3"},
+    	{"g1", "g2", "g3", "g4", "g5", "g6", "g7", "g8", "g9"}
+	};          // name of atomic orbital    jiyy add 2022-05-10
 
 	double dos_emin_ev;
 	double dos_emax_ev;