gint : modified comments

wenfei-li · wenfei-li · commit e72e11e5ff75 · 2022-03-21T13:20:33.000+08:00
diff --git a/source/src_lcao/gint_gamma_fvl.cpp b/source/src_lcao/gint_gamma_fvl.cpp
@@ -592,9 +592,6 @@ void Gint_Gamma::gamma_force(const double*const vlocal) const
 					//------------------------------------------------------------------
 					double *vldr3 = get_vldr3(vlocal, ncyz, ibx, jby, kbz);
 					
-					//------------------------------------------------------
-					// index of wave functions for each block
-					//------------------------------------------------------
                     int * block_iw, * block_index, * block_size;
                     Gint_Tools::get_block_info(na_grid, grid_index, block_iw, block_index, block_size);
 
diff --git a/source/src_lcao/gint_gamma_rho.cpp b/source/src_lcao/gint_gamma_rho.cpp
@@ -215,9 +215,6 @@ Gint_Tools::Array_Pool<double> Gint_Gamma::gamma_charge(const double*const*const
 						// here vindex refers to local potentials
 						int* vindex = Gint_Tools::get_vindex(ncyz, ibx, jby, kbz);	
 						
-						//------------------------------------------------------
-						// band size: number of columns of a band
-						//------------------------------------------------------------------
                         int * block_iw, * block_index, * block_size;
                         Gint_Tools::get_block_info(na_grid, grid_index, block_iw, block_index, block_size);
 
diff --git a/source/src_lcao/gint_gamma_vl.cpp b/source/src_lcao/gint_gamma_vl.cpp
@@ -374,9 +374,6 @@ Gint_Tools::Array_Pool<double> Gint_Gamma::gamma_vlocal(const double*const vloca
 						//------------------------------------------------------------------
 						const int kbz=k*GlobalC::pw.bz-GlobalC::pw.nczp_start;
 
-						//------------------------------------------------------
-						// index of wave functions for each block
-						//------------------------------------------------------
                         int * block_iw, * block_index, * block_size;
                         Gint_Tools::get_block_info(na_grid, grid_index, block_iw, block_index, block_size);
 						//------------------------------------------------------
diff --git a/source/src_lcao/gint_tools.h b/source/src_lcao/gint_tools.h
@@ -28,6 +28,12 @@ namespace Gint_Tools
 		const int jby,
 		const int kbz);
 
+	//------------------------------------------------------
+	// na_grid : #. atoms for this group of grids
+	// block_iw : size na_grid, index of the first orbital on this atom
+	// block_size : size na_grid, number of orbitals on this atom
+	// block_index : size na_grid+1, start from 0, accumulates block_size
+	//------------------------------------------------------
 	void get_block_info(
 		const int na_grid,
 		const int grid_index,
