Modify source_lcao folder structure

Author: Critsium-xy

source/Makefile.Objects

@@ -54,7 +54,7 @@ VPATH=./src_global:\
 ./source_pw/module_pwdft/module_exx_helper:\
 ./source_pw/module_stodft/kernels:\
 ./source_lcao/module_hcontainer:\
-./source_lcao/hamilt_lcaodft:\
+./source_lcao:\
 ./source_lcao/module_rt:\
 ./source_lcao/module_deepks:\
 ./source_lcao/module_dftu:\

source/module_lr/esolver_lrtd_lcao.cpp

@@ -7,7 +7,7 @@
 #include "module_lr/hsolver_lrtd.hpp"
 #include "module_lr/lr_spectrum.h"
 #include <memory>
-#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
+#include "source_lcao/hamilt_lcao.h"
 #include "source_io/read_wfc_nao.h"
 #include "source_io/cube_io.h"
 #include "source_io/print_info.h"

source/module_lr/operator_casida/operator_lr_hxc.cpp

@@ -6,7 +6,7 @@
 #include "module_lr/utils/lr_util.h"
 #include "module_lr/utils/lr_util_hcontainer.h"
 #include "module_lr/utils/lr_util_print.h"
-// #include "source_lcao/hamilt_lcaodft/DM_gamma_2d_to_grid.h"
+// #include "source_lcao/DM_gamma_2d_to_grid.h"
 #include "source_lcao/module_hcontainer/hcontainer_funcs.h"
 #include "module_lr/ao_to_mo_transformer/ao_to_mo.h"
 #include "source_pw/module_pwdft/global.h"

source/source_basis/module_ao/test/CMakeLists.txt

@@ -37,8 +37,8 @@ list(APPEND depend_files
   ../ORB_nonlocal_lm.cpp
   ../ORB_gaunt_table.cpp
   ../parallel_orbitals.cpp
-  ../../../source_lcao/hamilt_lcaodft/center2_orb-orb11.cpp
-  ../../../source_lcao/hamilt_lcaodft/center2_orb.cpp
+  ../../../source_lcao/center2_orb-orb11.cpp
+  ../../../source_lcao/center2_orb.cpp
   )
 
 install(DIRECTORY GaAs DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/../../../tests)

source/source_basis/module_ao/test/ORB_unittest.h

@@ -3,7 +3,7 @@
 
 #include "source_base/global_function.h"
 #include "source_basis/module_ao/ORB_control.h"
-#include "source_lcao/hamilt_lcaodft/center2_orb-orb11.h"
+#include "source_lcao/center2_orb-orb11.h"
 
 #include "gtest/gtest.h"
 //#include "mock_center2.h"

source/source_esolver/esolver_dm2rho.cpp

@@ -4,8 +4,8 @@
 #include "source_cell/module_neighbor/sltk_atom_arrange.h"
 #include "source_estate/elecstate_lcao.h"
 #include "source_estate/read_pseudo.h"
-#include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
-#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
+#include "source_lcao/LCAO_domain.h"
+#include "source_lcao/hamilt_lcao.h"
 #include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_io/cube_io.h"
 #include "source_io/io_npz.h"

source/source_esolver/esolver_gets.cpp

@@ -4,8 +4,8 @@
 #include "source_cell/module_neighbor/sltk_atom_arrange.h"
 #include "source_estate/elecstate_lcao.h"
 #include "source_estate/read_pseudo.h"
-#include "source_lcao/hamilt_lcaodft/LCAO_domain.h"
-#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
+#include "source_lcao/LCAO_domain.h"
+#include "source_lcao/hamilt_lcao.h"
 #include "source_lcao/module_operator_lcao/operator_lcao.h"
 #include "source_io/cal_r_overlap_R.h"
 #include "source_io/print_info.h"

source/source_esolver/esolver_ks_lcao.cpp

@@ -29,7 +29,7 @@
 #include "source_io/module_parameter/parameter.h"
 
 // be careful of hpp, there may be multiple definitions of functions, 20250302, mohan
-#include "source_lcao/hamilt_lcaodft/hs_matrix_k.hpp"
+#include "source_lcao/hs_matrix_k.hpp"
 #include "source_io/write_eband_terms.hpp"
 #include "source_io/write_vxc.hpp"
 #include "source_io/write_vxc_r.hpp"
@@ -39,7 +39,7 @@
 #include "source_estate/cal_ux.h"
 #include "source_estate/module_charge/symmetry_rho.h"
 #include "source_estate/occupy.h"
-#include "source_lcao/hamilt_lcaodft/LCAO_domain.h" // need DeePKS_init
+#include "source_lcao/LCAO_domain.h" // need DeePKS_init
 #include "source_lcao/module_dftu/dftu.h"
 #include "source_pw/module_pwdft/global.h"
 #include "source_io/print_info.h"
@@ -51,11 +51,11 @@
 #include "source_lcao/module_deepks/LCAO_deepks_interface.h"
 #endif
 //-----force& stress-------------------
-#include "source_lcao/hamilt_lcaodft/FORCE_STRESS.h"
+#include "source_lcao/FORCE_STRESS.h"
 
 //-----HSolver ElecState Hamilt--------
 #include "source_estate/elecstate_lcao.h"
-#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
+#include "source_lcao/hamilt_lcao.h"
 #include "source_hsolver/hsolver_lcao.h"
 
 // test RDMFT

source/source_esolver/esolver_ks_lcao.h

@@ -4,7 +4,7 @@
 #include "esolver_ks.h"
 
 // for adjacent atoms
-#include "source_lcao/hamilt_lcaodft/record_adj.h"
+#include "source_lcao/record_adj.h"
 
 // for NAO basis
 #include "source_basis/module_nao/two_center_bundle.h"

source/source_esolver/esolver_ks_lcao_tddft.cpp

@@ -27,11 +27,11 @@
 #include "source_estate/cal_ux.h"
 #include "source_estate/elecstate_lcao.h"
 #include "source_hsolver/hsolver_lcao.h"
-#include "source_lcao/hamilt_lcaodft/hamilt_lcao.h"
+#include "source_lcao/hamilt_lcao.h"
 #include "source_psi/psi.h"
 
 //-----force& stress-------------------
-#include "source_lcao/hamilt_lcaodft/FORCE_STRESS.h"
+#include "source_lcao/FORCE_STRESS.h"
 
 //---------------------------------------------------