change new_grid_tech to new_gint

Author: dzzz2001

source/module_elecstate/elecstate_lcao.cpp

@@ -9,7 +9,7 @@
 #include "module_hamilt_pw/hamilt_pwdft/global.h"
 #include "module_parameter/parameter.h"
 
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_interface.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_interface.h"
 
 #include <vector>
 

source/module_elecstate/elecstate_lcao_cal_tau.cpp

@@ -1,5 +1,5 @@
 #include "elecstate_lcao.h"
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_interface.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_interface.h"
 
 #include "module_base/timer.h"
 

source/module_esolver/esolver_ks_lcao.h

@@ -5,8 +5,8 @@
 // for grid integration
 #include "module_hamilt_lcao/module_gint/gint_gamma.h"
 #include "module_hamilt_lcao/module_gint/gint_k.h"
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_info.h"
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_info.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint.h"
 #ifdef __DEEPKS
 #include "module_hamilt_lcao/module_deepks/LCAO_deepks.h"
 #endif

source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/veff_lcao.cpp

@@ -4,7 +4,7 @@
 #include "module_base/tool_title.h"
 #include "module_hamilt_general/module_xc/xc_functional.h"
 #include "module_cell/unitcell.h"
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_interface.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_interface.h"
 namespace hamilt
 {
 

source/module_hamilt_lcao/hamilt_lcaodft/pulay_force_stress_gint.hpp

@@ -3,7 +3,7 @@
 #include "module_hamilt_lcao/hamilt_lcaodft/stress_tools.h"
 #include "module_hamilt_general/module_xc/xc_functional.h"
 #include "module_parameter/parameter.h"
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_interface.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_interface.h"
 namespace PulayForceStress
 {
     template<typename TK, typename TR>

source/module_hamilt_lcao/module_gint/CMakeLists.txt

@@ -31,26 +31,26 @@ list(APPEND objects
 
 if(NEW_GINT)
   list(APPEND objects
-      new_grid_tech/biggrid_info.cpp
-      new_grid_tech/biggrid.cpp
-      new_grid_tech/divide_info.cpp
-      new_grid_tech/gint_atom.cpp
-      new_grid_tech/gint_info.cpp
-      new_grid_tech/gint.cpp
-      new_grid_tech/gint_vl.cpp
-      new_grid_tech/gint_vl_metagga.cpp
-      new_grid_tech/gint_vl_nspin4.cpp
-      new_grid_tech/gint_vl_metagga_nspin4.cpp
-      new_grid_tech/gint_rho.cpp
-      new_grid_tech/gint_tau.cpp
-      new_grid_tech/gint_fvl.cpp
-      new_grid_tech/gint_fvl_meta.cpp
-      new_grid_tech/localcell_info.cpp
-      new_grid_tech/phi_operator.cpp
-      new_grid_tech/set_ddphi.cpp
-      new_grid_tech/unitcell_info.cpp
-      new_grid_tech/gint_common.cpp
-      new_grid_tech/gint_interface.cpp
+      new_gint/biggrid_info.cpp
+      new_gint/biggrid.cpp
+      new_gint/divide_info.cpp
+      new_gint/gint_atom.cpp
+      new_gint/gint_info.cpp
+      new_gint/gint.cpp
+      new_gint/gint_vl.cpp
+      new_gint/gint_vl_metagga.cpp
+      new_gint/gint_vl_nspin4.cpp
+      new_gint/gint_vl_metagga_nspin4.cpp
+      new_gint/gint_rho.cpp
+      new_gint/gint_tau.cpp
+      new_gint/gint_fvl.cpp
+      new_gint/gint_fvl_meta.cpp
+      new_gint/localcell_info.cpp
+      new_gint/phi_operator.cpp
+      new_gint/set_ddphi.cpp
+      new_gint/unitcell_info.cpp
+      new_gint/gint_common.cpp
+      new_gint/gint_interface.cpp
       )
 endif()
 

source/module_hamilt_lcao/module_gint/grid_technique.cpp

@@ -10,7 +10,7 @@
 #include "module_hamilt_pw/hamilt_pwdft/global.h"
 #include "module_hsolver/kernels/cuda/helper_cuda.h"
 
-#include "module_hamilt_lcao/module_gint/new_grid_tech/gint_helper.h"
+#include "module_hamilt_lcao/module_gint/new_gint/gint_helper.h"
 
 Grid_Technique::Grid_Technique() {
 #if ((defined __CUDA) /* || (defined __ROCM) */)
@@ -382,7 +382,6 @@ void Grid_Technique::init_atoms_on_grid2(const int* index2normal,
     std::vector<double> coords3(bxyz * 3, 0.0);
     for(int iat = 0; iat < ucell.nat; iat++)
     {
-        // printf("tau_in_bigcell[%d] = %f %f %f\n", iat, this->tau_in_bigcell[iat][0], this->tau_in_bigcell[iat][1], this->tau_in_bigcell[iat][2]);
         const int it = ucell.iat2it[iat];
         const double rcut_square = this->rcuts[it] * this->rcuts[it];
         // zero bigcell of meshball indicate ?