Merge pull request #998 from wenfei-li/develop

fix(gint): alloc-dealloc mismatch

Author: caic99

source/module_gint/gint_tools.cpp

@@ -39,7 +39,7 @@ namespace Gint_Tools
 		const int jby,
 		const int kbz)
 	{
-		int *vindex = (int*)malloc(GlobalC::bigpw->bxyz*sizeof(int));
+		int *vindex = new int[GlobalC::bigpw->bxyz];
 		int bindex=0;
 		// z is the fastest,
 		// ipart can be obtained by using a previously stored array
@@ -71,12 +71,12 @@ namespace Gint_Tools
 	{
 		// set the index for obtaining local potentials
 		int* vindex = Gint_Tools::get_vindex(ncyz, ibx, jby, kbz);	
-		double *vldr3 = (double*)malloc(GlobalC::bigpw->bxyz*sizeof(double));					
+		double *vldr3 = new double[GlobalC::bigpw->bxyz];
 		for(int ib=0; ib<GlobalC::bigpw->bxyz; ib++)
 		{
 			vldr3[ib]=vlocal[vindex[ib]] * dv;
 		}
-		free(vindex);	vindex=nullptr;
+		delete[] vindex;
 		return vldr3;
 	}
 
@@ -88,12 +88,12 @@ namespace Gint_Tools
 	{
 		// set the index for obtaining local potentials
 		int* vindex = Gint_Tools::get_vindex(start_ind, ncyz);	
-		double *vldr3 = (double*)malloc(GlobalC::bigpw->bxyz*sizeof(double));					
+		double *vldr3 = new double[GlobalC::bigpw->bxyz];
 		for(int ib=0; ib<GlobalC::bigpw->bxyz; ib++)
 		{
 			vldr3[ib]=vlocal[vindex[ib]] * dv;
 		}
-		free(vindex);	vindex=nullptr;
+		delete[] vindex;
 		return vldr3;
 	}
 

source/module_gint/gint_tools.h

@@ -243,8 +243,8 @@ namespace Gint_Tools
 	template<typename T>
 	Array_Pool<T>::Array_Pool(const int nr, const int nc)	// Attention: uninitialized
 	{
-		ptr_1D = (T*)malloc(nr*nc*sizeof(T));
-		ptr_2D = (T**)malloc(nr*sizeof(T*));
+		ptr_1D = new T[nr*nc];
+		ptr_2D = new T*[nr];
 		for (int ir=0; ir<nr; ++ir)
 			ptr_2D[ir] = &ptr_1D[ir*nc];
 	}
@@ -254,15 +254,15 @@ namespace Gint_Tools
 	{
 		ptr_1D = array.ptr_1D;
 		ptr_2D = array.ptr_2D;
-		free(array.ptr_2D);		array.ptr_2D=nullptr;
-		free(array.ptr_1D);		array.ptr_1D=nullptr;
+		delete[] array.ptr_2D;
+		delete[] array.ptr_1D;
 	}
 
 	template<typename T>
 	Array_Pool<T>::~Array_Pool()
 	{
-		free(ptr_2D);
-		free(ptr_1D);
+		delete[] ptr_2D;
+		delete[] ptr_1D;
 	}
 }