remove a non-used parameter in

maki49 · Apr 21, 2024 · 2f247a5 · 2f247a5
1 parent 6840f52
commit 2f247a5
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Showing 6 changed files with 12 additions and 18 deletions.
diff --git a/source/module_hamilt_lcao/module_gint/gint_fvl.cpp b/source/module_hamilt_lcao/module_gint/gint_fvl.cpp
@@ -62,7 +62,7 @@ void Gint::gint_kernel_force(
 	else
 	{
 		Gint_Tools::mult_psi_DMR(*this->gridt, this->bxyz, grid_index, na_grid, block_index, block_size, cal_flag, 
-            psir_vlbr3.ptr_2D, psir_vlbr3_DM.ptr_2D, DM_in[GlobalV::CURRENT_SPIN], this->DMRGint[is], false);
+            psir_vlbr3.ptr_2D, psir_vlbr3_DM.ptr_2D, this->DMRGint[is], false);
 	}
 
 	if(isforce)
@@ -223,16 +223,16 @@ void Gint::gint_kernel_force_meta(
 	else
 	{
 		Gint_Tools::mult_psi_DMR(*this->gridt, this->bxyz, grid_index, na_grid, block_index, block_size, cal_flag,
-            psir_vlbr3.ptr_2D, psir_vlbr3_DM.ptr_2D, DM_in[GlobalV::CURRENT_SPIN], this->DMRGint[is], false);
+            psir_vlbr3.ptr_2D, psir_vlbr3_DM.ptr_2D, this->DMRGint[is], false);
 
 		Gint_Tools::mult_psi_DMR(*this->gridt, this->bxyz, grid_index, na_grid, block_index, block_size, cal_flag, 
-            dpsir_x_vlbr3.ptr_2D, dpsirx_v_DM.ptr_2D, DM_in[GlobalV::CURRENT_SPIN], this->DMRGint[is], false);
+            dpsir_x_vlbr3.ptr_2D, dpsirx_v_DM.ptr_2D, this->DMRGint[is], false);
 
 		Gint_Tools::mult_psi_DMR(*this->gridt, this->bxyz, grid_index, na_grid, block_index, block_size, cal_flag, 
-            dpsir_y_vlbr3.ptr_2D, dpsiry_v_DM.ptr_2D, DM_in[GlobalV::CURRENT_SPIN], this->DMRGint[is], false);
+            dpsir_y_vlbr3.ptr_2D, dpsiry_v_DM.ptr_2D, this->DMRGint[is], false);
 
 		Gint_Tools::mult_psi_DMR(*this->gridt, this->bxyz, grid_index, na_grid, block_index, block_size, cal_flag,
-            dpsir_z_vlbr3.ptr_2D, dpsirz_v_DM.ptr_2D, DM_in[GlobalV::CURRENT_SPIN], this->DMRGint[is], false);
+            dpsir_z_vlbr3.ptr_2D, dpsirz_v_DM.ptr_2D, this->DMRGint[is], false);
 	}
 
 	if(isforce)

diff --git a/source/module_hamilt_lcao/module_gint/gint_gamma.h b/source/module_hamilt_lcao/module_gint/gint_gamma.h
@@ -49,7 +49,7 @@ class Gint_Gamma : public Gint
 
 private:
 
-    double*** DM;   //pointer to LOC.DM
+    double*** DM = nullptr;   //pointer to LOC.DM
 
     ///------------------------------------------------------
     /// in gint_gamma_vl.cpp 

diff --git a/source/module_hamilt_lcao/module_gint/gint_rho.cpp b/source/module_hamilt_lcao/module_gint/gint_rho.cpp
@@ -66,8 +66,7 @@ void Gint::gint_kernel_rho(
 				block_index, block_size,
 				cal_flag, 
 				psir_ylm.ptr_2D,
-				psir_DM.ptr_2D,
-				inout->DM_R[is],
+                psir_DM.ptr_2D,
 				this->DMRGint[is],
                 inout->if_symm);
 		}

diff --git a/source/module_hamilt_lcao/module_gint/gint_tau.cpp b/source/module_hamilt_lcao/module_gint/gint_tau.cpp
@@ -102,26 +102,23 @@ void Gint::gint_kernel_tau(
 				block_index, block_size,
 				cal_flag, 
 				dpsir_ylm_x.ptr_2D,
-				dpsix_DM.ptr_2D,
-				inout->DM_R[is],
+                dpsix_DM.ptr_2D,
 				this->DMRGint[is],
 				1);
 			Gint_Tools::mult_psi_DMR(
 				*this->gridt, this->bxyz, grid_index, na_grid,
 				block_index, block_size,
 				cal_flag,
 				dpsir_ylm_y.ptr_2D,
-				dpsiy_DM.ptr_2D,
-				inout->DM_R[is], 
+                dpsiy_DM.ptr_2D,
 				this->DMRGint[is],
 				1);
 			Gint_Tools::mult_psi_DMR(
 				*this->gridt, this->bxyz, grid_index, na_grid,
 				block_index, block_size,
 				cal_flag, 
 				dpsir_ylm_z.ptr_2D,
-				dpsiz_DM.ptr_2D,
-				inout->DM_R[is], 
+                dpsiz_DM.ptr_2D,
 				this->DMRGint[is],
 				1);
 		}

diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.cpp b/source/module_hamilt_lcao/module_gint/gint_tools.cpp
@@ -1131,8 +1131,7 @@ namespace Gint_Tools
 		const int*const block_size,
 		bool** cal_flag,
 		double** psi,
-		double ** psi_DMR,
-		double* DMR,
+        double** psi_DMR,
 		const hamilt::HContainer<double>* DM,
         const bool if_symm)
 	{

diff --git a/source/module_hamilt_lcao/module_gint/gint_tools.h b/source/module_hamilt_lcao/module_gint/gint_tools.h
@@ -284,8 +284,7 @@ namespace Gint_Tools
         const int*const block_size,
         bool** cal_flag,
         double** psi,
-		double** psi_DMR,
-        double* DMR,
+        double** psi_DMR,
         const hamilt::HContainer<double>* DM,
         const bool if_symm);