Move module_gint from source_lcao to source_hamilt (#7710)

* move module_gint from source_lcao to source_hamilt

* update

* update

---------

Co-authored-by: abacus_fixer <mohanchen@pku.eud.cn>

Author: mohanchen

source/CMakeLists.txt

@@ -525,7 +525,6 @@ add_subdirectory(source_basis/module_nao)
 add_subdirectory(source_md)
 add_subdirectory(source_basis/module_pw)
 add_subdirectory(source_esolver)
-add_subdirectory(source_lcao/module_gint)
 add_subdirectory(source_io)
 add_subdirectory(source_relax)
 add_subdirectory(source_lcao/module_ri)

source/source_esolver/esolver_ks_lcao.cpp

@@ -9,7 +9,7 @@
 #include "source_estate/module_charge/symmetry_rho.h"
 #include "source_lcao/LCAO_domain.h" // need DeePKS_init
 #include "source_lcao/FORCE_STRESS.h"
-#include "source_lcao/module_gint/gint.h"
+#include "source_hamilt/module_gint/gint.h"
 #include "source_estate/elecstate_lcao.h"
 #include "source_lcao/hamilt_lcao.h"
 #include "source_hsolver/hsolver_lcao.h"

source/source_esolver/esolver_ks_lcao.h

@@ -4,7 +4,7 @@
 #include "esolver_ks.h"
 #include "source_lcao/record_adj.h" // adjacent atoms
 #include "source_basis/module_nao/two_center_bundle.h" // nao basis
-#include "source_lcao/module_gint/gint_info.h"
+#include "source_hamilt/module_gint/gint_info.h"
 #include "source_estate/module_charge/gint_precision_controller.h"
 #include "source_lcao/setup_deepks.h" // for deepks, mohan add 20251008
 #include "source_lcao/setup_exx.h" // for exx, mohan add 20251008

source/source_esolver/lcao_others.cpp

@@ -3,7 +3,7 @@
 #include "source_estate/module_charge/symmetry_rho.h"
 #include "source_lcao/hamilt_lcao.h"
 #include "source_lcao/module_dftu/dftu.h"
-#include "source_lcao/module_gint/gint.h"
+#include "source_hamilt/module_gint/gint.h"
 #include "source_base/formatter.h"
 #include "source_base/timer.h"
 #include "source_cell/module_neighbor/sltk_atom_arrange.h"

source/source_estate/elecstate_lcao.cpp

@@ -6,7 +6,7 @@
 #include "source_lcao/module_deltaspin/spin_constrain.h"
 #include "source_io/module_parameter/parameter.h"
 
-#include "source_lcao/module_gint/gint_interface.h"
+#include "source_hamilt/module_gint/gint_interface.h"
 #include "source_lcao/rho_tau_lcao.h"
 
 #include <vector>

source/source_estate/module_charge/gint_precision_controller.h

@@ -1,7 +1,7 @@
 #ifndef GINT_PRECISION_CONTROLLER_H
 #define GINT_PRECISION_CONTROLLER_H
 
-#include "source_lcao/module_gint/gint_helper.h"
+#include "source_hamilt/module_gint/gint_helper.h"
 
 #include <string>
 

source/source_hamilt/CMakeLists.txt

@@ -3,6 +3,10 @@ add_subdirectory(module_surchem)
 add_subdirectory(module_xc)
 add_subdirectory(module_hcontainer)
 
+if(ENABLE_LCAO)
+  add_subdirectory(module_gint)
+endif()
+
 list(APPEND objects
     operator.cpp
     module_ewald/H_Ewald_pw.cpp