refactor: re-arrange output flags for scf and nscf calculation (#1686)

abacusmodeling · Dec 15, 2022 · 28c3d9f · 28c3d9f
1 parent 4c0b28c
commit 28c3d9f
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Showing 2 changed files with 24 additions and 19 deletions.
diff --git a/source/module_relax/relax_driver.cpp b/source/module_relax/relax_driver.cpp
@@ -30,7 +30,9 @@ void Relax_Driver::relax_driver(ModuleESolver::ESolver *p_esolver)
     {
 		time_t estart = time(NULL);
 
-		if(GlobalV::OUT_LEVEL=="ie" && (GlobalV::CALCULATION=="relax" || GlobalV::CALCULATION=="cell-relax"))
+		if(GlobalV::OUT_LEVEL=="ie" &&
+			(GlobalV::CALCULATION=="relax" || GlobalV::CALCULATION=="cell-relax"
+			|| GlobalV::CALCULATION=="scf" || GlobalV::CALCULATION=="nscf"))
 		{
 			Print_Info::print_screen(stress_step, force_step, istep);
 		}

diff --git a/source/src_io/print_info.cpp b/source/src_io/print_info.cpp
@@ -277,24 +277,7 @@ void Print_Info::print_screen(const int &stress_step, const int &force_step, con
     std::cout << " -------------------------------------------" << std::endl;
 	GlobalV::ofs_running << "\n -------------------------------------------" << std::endl;
 
-	if(GlobalV::relax_new)
-	{
-		std::cout << " STEP OF RELAXATION : " << unsigned(istep) << std::endl;
-		GlobalV::ofs_running << " STEP OF RELAXATION : " << unsigned(istep) << std::endl;
-	}
-	else if(GlobalV::CALCULATION=="relax") //pengfei 2014-10-13
-	{
-        std::cout << " STEP OF ION RELAXATION : " << unsigned(istep) << std::endl;
-		GlobalV::ofs_running << " STEP OF ION RELAXATION : " << unsigned(istep) << std::endl;
-	}
-    else if(GlobalV::CALCULATION=="cell-relax")
-    {
-        std::cout << " RELAX CELL : " << unsigned(stress_step) << std::endl;
-        std::cout << " RELAX IONS : " << unsigned(force_step) << " (in total: " << unsigned(istep) << ")" << std::endl;
-		GlobalV::ofs_running << " RELAX CELL : " << unsigned(stress_step) << std::endl;
-        GlobalV::ofs_running << " RELAX IONS : " << unsigned(force_step) << " (in total: " << unsigned(istep) << ")" << std::endl;
-    }
-	else if(GlobalV::CALCULATION=="scf") //add 4 lines 2015-09-06, xiaohui
+	if(GlobalV::CALCULATION=="scf") //add 4 lines 2015-09-06, xiaohui
 	{
         std::cout << " SELF-CONSISTENT : " << std::endl;
 		GlobalV::ofs_running << " SELF-CONSISTENT" << std::endl;
@@ -309,6 +292,26 @@ void Print_Info::print_screen(const int &stress_step, const int &force_step, con
         std::cout << " STEP OF MOLECULAR DYNAMICS : " << unsigned(istep) << std::endl;
 		GlobalV::ofs_running << " STEP OF MOLECULAR DYNAMICS : " << unsigned(istep) << std::endl;
 	}
+	else
+	{
+		if(GlobalV::relax_new)
+		{
+			std::cout << " STEP OF RELAXATION : " << unsigned(istep) << std::endl;
+			GlobalV::ofs_running << " STEP OF RELAXATION : " << unsigned(istep) << std::endl;
+		}
+		else if(GlobalV::CALCULATION=="relax") //pengfei 2014-10-13
+		{
+        	std::cout << " STEP OF ION RELAXATION : " << unsigned(istep) << std::endl;
+			GlobalV::ofs_running << " STEP OF ION RELAXATION : " << unsigned(istep) << std::endl;
+		}
+    	else if(GlobalV::CALCULATION=="cell-relax")
+    	{
+        	std::cout << " RELAX CELL : " << unsigned(stress_step) << std::endl;
+        	std::cout << " RELAX IONS : " << unsigned(force_step) << " (in total: " << unsigned(istep) << ")" << std::endl;
+			GlobalV::ofs_running << " RELAX CELL : " << unsigned(stress_step) << std::endl;
+        	GlobalV::ofs_running << " RELAX IONS : " << unsigned(force_step) << " (in total: " << unsigned(istep) << ")" << std::endl;
+    	}
+	}
 
     std::cout << " -------------------------------------------" << std::endl;
     GlobalV::ofs_running << " -------------------------------------------" << std::endl;