Fix: 1. out_mul can not control mulliken charge output, 2. wrong path of mulliken.txt

Author: dyzheng

source/input.cpp

@@ -374,7 +374,7 @@ void Input::Default(void)
 
     cell_factor = 1.2; // LiuXh add 20180619
 
-    GlobalV::out_mul = 0; // qi feng add 2019/9/10
+    out_mul = 0; // qi feng add 2019/9/10
 
     //----------------------------------------------------------			//Peize Lin add 2020-04-04
     // restart
@@ -1305,7 +1305,7 @@ bool Input::Read(const std::string &fn)
         }
         else if (strcmp("out_mul", word) == 0)
         {
-            read_value(ifs, GlobalV::out_mul);
+            read_value(ifs, out_mul);
         } // qifeng add 2019/9/10
         //----------------------------------------------------------
         // exx
@@ -2049,7 +2049,7 @@ void Input::Bcast()
     Parallel_Common::bcast_bool(test_just_neighbor);
     Parallel_Common::bcast_int(GlobalV::ocp);
     Parallel_Common::bcast_string(GlobalV::ocp_set);
-    Parallel_Common::bcast_int(GlobalV::out_mul); // qifeng add 2019/9/10
+    Parallel_Common::bcast_int(out_mul); // qifeng add 2019/9/10
 
     // Peize Lin add 2018-06-20
     Parallel_Common::bcast_string(dft_functional);

source/src_io/mulliken_charge.cpp

@@ -269,13 +269,16 @@ void Mulliken_Charge::cal_mulliken(LCAO_Hamilt &uhm)
 }				   
 
 void Mulliken_Charge::stdout_mulliken(LCAO_Hamilt &uhm)
-{                    this->cal_mulliken(uhm);
+{                    
+	this->cal_mulliken(uhm);
+	
 	if(GlobalV::MY_RANK == 0)
 	{
 		ModuleBase::TITLE("Dos","calculate_Mulliken");
 		std::ofstream fout;
-		const char * fn= "mulliken.txt";
-		fout.open(fn);
+		std::stringstream ss;
+		ss << GlobalV::global_out_dir <<"mulliken.txt";
+		fout.open(ss.str().c_str());
 		// std::ofstream fout;
 		// std::string wordqf="mulliken.txt";
 		// wordqf += char(GlobalV::MY_RANK + 48);