refactor(dftu): rename all dftu_lcao* files to dftu_nao* for NAO basis clarity

Rename all LCAO-specific DFT+U files in module_dftu to use 'nao' instead
of 'lcao', making the basis-set dependency explicit in the filename:

- dftu_lcao.h/cpp          -> dftu_nao.h/cpp
- dftu_lcao_occ.h/cpp      -> dftu_nao_occ.h/cpp
- dftu_lcao_pots.h/cpp     -> dftu_nao_pots.h/cpp
- dftu_lcao_energy.h/cpp   -> dftu_nao_energy.h/cpp
- dftu_lcao_op_legacy.h    -> dftu_nao_op_legacy.h

Update all #include references across 29 files in:
  source_lcao, source_esolver, source_estate, source_io, module_dftu

Update CMakeLists.txt source lists accordingly.

Note: setup_dftu_lcao.cpp/h keep their names (they are not in module_dftu
and represent the DFT+U setup workflow, not a basis-specific implementation).

Co-Authored-By: TRAE <noreply@trae.ai>

Author: abacus_fixer

source/source_esolver/esolver_ks.cpp

@@ -13,7 +13,7 @@
 #include "source_hamilt/module_xc/xc_functional.h"
 #include "source_io/module_output/output_log.h" // use write_head
 #include "source_estate/elecstate_print.h" // print_etot
-#include "source_lcao/module_dftu/dftu_lcao.h" // mohan add 2025-11-07
+#include "source_lcao/module_dftu/dftu_nao.h" // mohan add 2025-11-07
 #include "source_hamilt/module_xc/general_exx_info.h" // for init_general_exx_info
 
 namespace ModuleESolver

source/source_esolver/esolver_ks.h

@@ -8,7 +8,7 @@
 #include "source_hamilt/hamilt.h"                      // use Hamiltonian
 #include "source_hamilt/hamilt_base.h"                 // use Hamiltonian base class
 #include "source_hamilt/module_xc/general_exx_info.h"  // ESolver owns General_Exx_Info value
-#include "source_lcao/module_dftu/dftu_lcao.h"              // mohan add 20251107
+#include "source_lcao/module_dftu/dftu_nao.h"              // mohan add 20251107
 #include "source_pw/module_pwdft/vnl_pw.h"
 
 namespace ModuleESolver

source/source_esolver/lcao_others.cpp

@@ -15,7 +15,7 @@
 #include "source_lcao/hamilt_lcao.h"
 #include "source_lcao/lcao_domain.h"
 #include "source_lcao/module_deltaspin/spin_constrain.h"
-#include "source_lcao/module_dftu/dftu_lcao.h"
+#include "source_lcao/module_dftu/dftu_nao.h"
 #include "source_lcao/module_operator_lcao/op_exx_lcao.h"
 #include "source_lcao/module_operator_lcao/operator_lcao.h"
 

source/source_estate/module_charge/chgmixing.cpp

@@ -1,6 +1,6 @@
 #include "source_estate/module_charge/chgmixing.h"
 #include "source_estate/update_pot.h"
-#include "source_lcao/module_dftu/dftu_lcao.h"
+#include "source_lcao/module_dftu/dftu_nao.h"
 #include "source_lcao/module_deltaspin/spin_constrain.h"
 
 void module_charge::chgmixing_ks(const int iter, // scf iteration number

source/source_io/module_ctrl/ctrl_scf_lcao.h

@@ -9,7 +9,7 @@
 #include "source_estate/module_dm/density_matrix.h"    // mohan add 2025-11-04
 #include "source_hamilt/module_surchem/surchem.h"       // use surchem (for dH veff pots)
 #include "source_lcao/hamilt_lcao.h"                   // use hamilt::HamiltLCAO<TK, TR>
-#include "source_lcao/module_dftu/dftu_lcao.h"              // mohan add 20251107
+#include "source_lcao/module_dftu/dftu_nao.h"              // mohan add 20251107
 #include "source_lcao/module_rdmft/rdmft.h"            // use RDMFT codes
 #include "source_lcao/setup_deepks.h"                  // for deepks, mohan add 20251008
 #include "source_lcao/setup_exx.h"                     // for exx, mohan add 20251008

source/source_io/module_hs/output_mat_sparse.h

@@ -6,7 +6,7 @@
 #include "source_cell/klist.h"
 #include "source_hamilt/hamilt.h"
 #include "source_cell/module_neighbor/sltk_grid_driver.h"
-#include "source_lcao/module_dftu/dftu_lcao.h" // mohan add 20251107
+#include "source_lcao/module_dftu/dftu_nao.h" // mohan add 20251107
 
 namespace ModuleIO
 {

source/source_io/module_hs/write_hs_r.h

@@ -8,7 +8,7 @@
 #include "source_cell/module_neighbor/sltk_grid_driver.h"
 #include "source_hamilt/hamilt.h"
 #include "source_lcao/lcao_hs_arrays.hpp"
-#include "source_lcao/module_dftu/dftu_lcao.h" // mohan add 20251107
+#include "source_lcao/module_dftu/dftu_nao.h" // mohan add 20251107
 
 #ifdef __EXX
 #include "RI/global/Tensor.h" // for RI::Tensor

source/source_io/module_hs/write_vxc.hpp

@@ -4,7 +4,7 @@
 #include "source_base/parallel_reduce.h"
 #include "source_base/module_container/base/third_party/blas.h"
 #include "source_base/module_external/scalapack_connector.h"
-#include "source_lcao/module_dftu/dftu_lcao_op_legacy.h"
+#include "source_lcao/module_dftu/dftu_nao_op_legacy.h"
 #include "source_lcao/module_operator_lcao/veff_lcao.h"
 #include "source_hamilt/module_xc/exx_info.h"
 #ifdef __EXX

source/source_io/module_hs/write_vxc_r.hpp

@@ -2,7 +2,7 @@
 #define __WRITE_VXC_R_H_
 #include "source_io/module_parameter/parameter.h"
 #include "source_io/module_hs/write_hs_sparse.h"
-#include "source_lcao/module_dftu/dftu_lcao_op_legacy.h"
+#include "source_lcao/module_dftu/dftu_nao_op_legacy.h"
 #include "source_lcao/module_operator_lcao/veff_lcao.h"
 #include "source_lcao/spar_hsr.h"
 #ifdef __EXX

source/source_io/test/for_testing_input_conv.h

@@ -13,7 +13,7 @@
 #include "source_io/module_restart/restart.h"
 #include "source_io/module_unk/berryphase.h"
 #include "source_lcao/force_stress_lcao.h"
-#include "source_lcao/module_dftu/dftu_lcao.h"
+#include "source_lcao/module_dftu/dftu_nao.h"
 #include "source_md/md_func.h"
 #include "source_pw/module_pwdft/stru_fac.h"
 #include "source_pw/module_pwdft/vnl_pw.h"