deepmodeling · Critsium-xy · Jun 23, 2026 · Jun 23, 2026 · Jun 23, 2026 · Jun 23, 2026
diff --git a/source/source_esolver/esolver_double_xc.cpp b/source/source_esolver/esolver_double_xc.cpp
@@ -1,4 +1,8 @@
 #include "esolver_double_xc.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_basis/module_pw/pw_basis.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_pot/potential_new.h" // IWYU: was transitively via elecstate.h
 #include "source_hamilt/module_xc/xc_functional.h"
 #include "source_hamilt/module_ewald/H_Ewald_pw.h"
 #include "source_hamilt/module_vdw/vdw.h"

diff --git a/source/source_esolver/esolver_double_xc.h b/source/source_esolver/esolver_double_xc.h
@@ -2,6 +2,7 @@
 #define ESOLVER_DOUBLE_XC_H
 
 #include "source_esolver/esolver_ks_lcao.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 
 namespace ModuleESolver
 {

diff --git a/source/source_esolver/esolver_fp.cpp b/source/source_esolver/esolver_fp.cpp
@@ -1,4 +1,6 @@
 #include "esolver_fp.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 
 #include "source_estate/cal_ux.h"
 #include "source_estate/module_charge/symmetry_rho.h"

diff --git a/source/source_esolver/esolver_fp.h b/source/source_esolver/esolver_fp.h
@@ -2,10 +2,12 @@
 #define ESOLVER_FP_H
 
 #include "esolver.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/timer_wrapper.h"
 
 #include "source_basis/module_pw/pw_basis.h" // plane wave basis
+#include "source_cell/klist.h" // K_Vectors kv value member (no longer via elecstate.h)
 #include "source_estate/elecstate.h" // electronic states
 #include "source_estate/module_charge/charge_extra.h" // charge extrapolation
 #include "source_hamilt/module_surchem/surchem.h" // solvation model

diff --git a/source/source_esolver/esolver_gets.cpp b/source/source_esolver/esolver_gets.cpp
@@ -1,4 +1,6 @@
 #include "esolver_gets.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/timer.h"
 #include "source_cell/module_neighbor/sltk_atom_arrange.h"

diff --git a/source/source_esolver/esolver_ks_lcao.cpp b/source/source_esolver/esolver_ks_lcao.cpp
@@ -1,4 +1,6 @@
 #include "esolver_ks_lcao.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "source_base/module_external/blacs_connector.h"
 #include "source_cell/module_neighbor/sltk_atom_arrange.h"
 #include "source_estate/elecstate_tools.h"

diff --git a/source/source_esolver/esolver_ks_lcaopw.cpp b/source/source_esolver/esolver_ks_lcaopw.cpp
@@ -1,4 +1,6 @@
 #include "esolver_ks_lcaopw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 
 #include "source_pw/module_pwdft/elecond.h"
 #include "source_io/module_parameter/input_conv.h"

diff --git a/source/source_esolver/esolver_ks_pw.cpp b/source/source_esolver/esolver_ks_pw.cpp
@@ -1,4 +1,7 @@
 #include "esolver_ks_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_pot/potential_new.h" // IWYU: was transitively via elecstate.h
 
 #include "source_estate/cal_ux.h"
 #include "source_estate/elecstate_pw.h"

diff --git a/source/source_esolver/esolver_of.cpp b/source/source_esolver/esolver_of.cpp
@@ -1,4 +1,7 @@
 #include "esolver_of.h"
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 
 #include "source_io/module_parameter/parameter.h"
 #include "source_io/module_output/cube_io.h"

diff --git a/source/source_esolver/esolver_of_interface.cpp b/source/source_esolver/esolver_of_interface.cpp
@@ -1,4 +1,5 @@
 #include "esolver_of.h"
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 #include "source_io/module_parameter/parameter.h"
 
 namespace ModuleESolver

diff --git a/source/source_esolver/esolver_of_tool.cpp b/source/source_esolver/esolver_of_tool.cpp
@@ -1,4 +1,6 @@
 #include "esolver_of.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 #include "source_base/formatter.h"
 #include "source_base/memory_recorder.h"
 #include "source_estate/module_pot/efield.h"

diff --git a/source/source_esolver/esolver_sdft_pw.cpp b/source/source_esolver/esolver_sdft_pw.cpp
@@ -1,4 +1,6 @@
 #include "esolver_sdft_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/global_variable.h"
 #include "source_base/memory_recorder.h"

diff --git a/source/source_esolver/lcao_others.cpp b/source/source_esolver/lcao_others.cpp
@@ -1,4 +1,5 @@
 #include "source_esolver/esolver_ks_lcao.h"
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "source_estate/cal_ux.h"
 #include "source_estate/module_charge/symmetry_rho.h"
 #include "source_lcao/hamilt_lcao.h"

diff --git a/source/source_esolver/pw_others.cpp b/source/source_esolver/pw_others.cpp
@@ -1,4 +1,6 @@
 #include "esolver_ks_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "source_base/module_device/device.h"
 #include "source_io/module_bessel/numerical_basis.h"
 #include "source_io/module_bessel/numerical_descriptor.h"

diff --git a/source/source_estate/elecstate.cpp b/source/source_estate/elecstate.cpp
@@ -2,11 +2,32 @@
 #include "source_io/module_parameter/parameter.h"
 #include "source_base/parallel_reduce.h"
 #include "source_base/tool_title.h"
+#include "source_estate/module_charge/charge.h"
+#include "module_pot/potential_new.h"
+#include "source_basis/module_pw/pw_basis.h"
+#include "source_basis/module_pw/pw_basis_big.h"
 #include "occupy.h"
 
 namespace elecstate
 {
 
+ElecState::ElecState(Charge* chr_in, ModulePW::PW_Basis* rhopw_in, ModulePW::PW_Basis_Big* bigpw_in)
+{
+    this->charge = chr_in;
+    this->charge->set_rhopw(rhopw_in);
+    this->bigpw = bigpw_in;
+    this->eferm.two_efermi = PARAM.globalv.two_fermi;
+}
+
+ElecState::~ElecState()
+{
+    if (this->pot != nullptr)
+    {
+        delete this->pot;
+        this->pot = nullptr;
+    }
+}
+
 const double* ElecState::getRho(int spin) const
 {
     return &(this->charge->rho[spin][0]);

diff --git a/source/source_estate/elecstate.h b/source/source_estate/elecstate.h
@@ -2,36 +2,53 @@
 #define ELECSTATE_H
 
 #include "fp_energy.h"
-#include "source_cell/klist.h"
-#include "source_estate/module_charge/charge.h"
-#include "source_io/module_parameter/parameter.h"
-#include "source_psi/psi.h"
-#include "module_pot/potential_new.h"
+#include "source_base/matrix.h"
+#include "source_psi/psi.h" // Psi<T> appears in virtual method signatures; psi.h is light (own_fan=2)
+#include "source_io/module_parameter/parameter.h" // PARAM/Input_para; kept (own_fan=4, cheap) to avoid churning ~120 downstream PARAM users
+
+// Base-layer leaf utilities (own_fan~0) that the old heavy includes used to
+// pull in transitively. Kept here so the ~100 downstream files using TITLE /
+// WARNING_QUIT / timer / GlobalFunc / Memory do not each need a new include;
+// global_function.h also transitively provides tool_title.h and tool_quit.h.
+#include "source_base/global_function.h"
+#include "source_base/timer.h"
+#include "source_base/memory_recorder.h"
+
+#include <complex>
+#include <string>
+#include <vector>
+
+// The heavy data headers (potential_new own_fan=58, klist=42, charge=37) are
+// forward-declared instead of included; their full definitions are pulled in by
+// elecstate.cpp. parameter.h is kept above because dropping it saves only 4 fan
+// but would force ~120 downstream files to add their own include.
+class Charge;
+class K_Vectors;
+class UnitCell;
+class Parallel_Grid;
+namespace ModuleBase
+{
+class ComplexMatrix;
+}
+namespace ModulePW
+{
+class PW_Basis;
+class PW_Basis_Big;
+} // namespace ModulePW
 
 namespace elecstate
 {
 
+class Potential;
+
 class ElecState
 {
   public:
     ElecState()
     {
     }
-    ElecState(Charge* chr_in, ModulePW::PW_Basis* rhopw_in, ModulePW::PW_Basis_Big* bigpw_in)
-    {
-        this->charge = chr_in;
-        this->charge->set_rhopw(rhopw_in);
-        this->bigpw = bigpw_in;
-        this->eferm.two_efermi = PARAM.globalv.two_fermi;
-    }
-    virtual ~ElecState()
-    {
-        if (this->pot != nullptr)
-        {
-            delete this->pot;
-            this->pot = nullptr;
-        }
-    }
+    ElecState(Charge* chr_in, ModulePW::PW_Basis* rhopw_in, ModulePW::PW_Basis_Big* bigpw_in);
+    virtual ~ElecState();
     void init_ks(Charge* chr_in, // pointer for class Charge
                  const K_Vectors* klist_in,
                  int nk_in, // number of k points

diff --git a/source/source_estate/elecstate_energy.cpp b/source/source_estate/elecstate_energy.cpp
@@ -1,10 +1,15 @@
 #include "elecstate.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_basis/module_pw/pw_basis.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "source_base/global_variable.h"
 #include "source_base/parallel_comm.h"
 #include "source_base/parallel_reduce.h"
 #include "makov_payne.h"
 #include "source_hamilt/module_xc/xc_functional.h"
 #include "source_estate/module_pot/H_Hartree_pw.h"
+#include "module_pot/potential_new.h" // ElecState::pot is now fwd-declared in elecstate.h
 #include "source_io/module_parameter/parameter.h"
 
 #include <cmath>

diff --git a/source/source_estate/elecstate_energy_terms.cpp b/source/source_estate/elecstate_energy_terms.cpp
@@ -1,5 +1,8 @@
 #include "elecstate.h"
+#include "source_basis/module_pw/pw_basis.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "source_base/parallel_reduce.h"
+#include "module_pot/potential_new.h" // ElecState::pot is now fwd-declared in elecstate.h
 #include "source_estate/module_pot/H_Hartree_pw.h"
 #include "source_estate/module_pot/efield.h"
 #include "source_estate/module_pot/gatefield.h"

diff --git a/source/source_estate/elecstate_lcao.cpp b/source/source_estate/elecstate_lcao.cpp
@@ -1,4 +1,5 @@
 #include "source_estate/elecstate_lcao.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "source_estate/cal_dm.h"
 #include "source_base/timer.h"
 #include "source_estate/module_dm/cal_dm_psi.h"

diff --git a/source/source_estate/elecstate_print.cpp b/source/source_estate/elecstate_print.cpp
@@ -1,4 +1,5 @@
 #include "elecstate.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "source_base/formatter.h"
 #include "source_base/global_variable.h"
 #include "source_base/parallel_common.h"

diff --git a/source/source_estate/elecstate_pw.cpp b/source/source_estate/elecstate_pw.cpp
@@ -1,4 +1,8 @@
 #include "elecstate_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_basis/module_pw/pw_basis.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/constants.h"
 #include "source_base/libm/libm.h"

diff --git a/source/source_estate/elecstate_pw_cal_tau.cpp b/source/source_estate/elecstate_pw_cal_tau.cpp
@@ -1,4 +1,7 @@
 #include "elecstate_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: elecstate.h no longer provides this transitively
 
 namespace elecstate {
 

diff --git a/source/source_estate/elecstate_pw_sdft.cpp b/source/source_estate/elecstate_pw_sdft.cpp
@@ -1,4 +1,5 @@
 #include "./elecstate_pw_sdft.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/global_function.h"
 #include "source_base/global_variable.h"

diff --git a/source/source_estate/elecstate_tools.cpp b/source/source_estate/elecstate_tools.cpp
@@ -1,4 +1,5 @@
 #include "elecstate_tools.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
 #include "occupy.h"
 #include "source_base/parallel_reduce.h"
 namespace elecstate

diff --git a/source/source_estate/init_scf.cpp b/source/source_estate/init_scf.cpp
@@ -1,4 +1,6 @@
 #include "elecstate.h"
+#include "module_pot/potential_new.h"                // ElecState::pot is now fwd-declared in elecstate.h
+#include "source_estate/module_charge/charge.h"      // ElecState::charge is now fwd-declared in elecstate.h
 #include "source_io/module_chgpot/write_init.h"
 
 namespace elecstate

diff --git a/source/source_estate/module_dm/init_dm.cpp b/source/source_estate/module_dm/init_dm.cpp
@@ -1,4 +1,5 @@
 #include "source_estate/module_dm/init_dm.h"
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 #include "source_estate/module_dm/cal_dm_psi.h"
 #include "source_estate/elecstate_tools.h"
 #include "source_estate/cal_ux.h"

diff --git a/source/source_estate/module_pot/pot_ml_exx.h b/source/source_estate/module_pot/pot_ml_exx.h
@@ -4,6 +4,7 @@
 #ifdef __MLALGO
 
 #include "pot_base.h"
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "source_io/module_ml/cal_mlkedf_descriptors.h"
 #include "source_pw/module_ofdft/ml_base.h"
 

diff --git a/source/source_estate/setup_estate_pw.cpp b/source/source_estate/setup_estate_pw.cpp
@@ -1,4 +1,6 @@
 #include "source_estate/setup_estate_pw.h"
+#include "source_estate/module_pot/potential_new.h" // new elecstate::Potential (was transitively via elecstate.h)
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "source_estate/elecstate_pw.h"
 #include "source_estate/elecstate_pw_sdft.h"
 #include "source_estate/elecstate_tools.h"

diff --git a/source/source_estate/setup_estate_pw.h b/source/source_estate/setup_estate_pw.h
@@ -9,6 +9,7 @@
 #include "source_pw/module_pwdft/vsep_pw.h"
 
 class pseudopot_cell_vnl;
+class surchem; // used only as a reference param below (was transitively via elecstate.h)
 
 namespace elecstate
 {

diff --git a/source/source_estate/test/elecstate_base_test.cpp b/source/source_estate/test/elecstate_base_test.cpp
@@ -1,10 +1,13 @@
 #include "gmock/gmock.h"
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "gtest/gtest.h"
 #include <string>
 #define private public
 #define protected public
 #include "source_estate/elecstate.h"
 #include "source_estate/elecstate_tools.h"
+#include "source_estate/module_charge/charge.h"   // new Charge / charge->rho (no longer via elecstate.h)
+#include "source_estate/module_pot/potential_new.h" // Potential (no longer via elecstate.h)
 #include "source_estate/occupy.h"
 #include "source_io/module_parameter/parameter.h"
 #include "source_base/module_fft/fft_bundle.h"

diff --git a/source/source_estate/test/elecstate_print_test.cpp b/source/source_estate/test/elecstate_print_test.cpp
@@ -1,6 +1,7 @@
 #include <string>
 
 #include "gmock/gmock.h"
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
 #include "gtest/gtest.h"
 #define private public
 #include "source_cell/klist.h"

diff --git a/source/source_estate/test/elecstate_pw_test.cpp b/source/source_estate/test/elecstate_pw_test.cpp
@@ -1,6 +1,8 @@
 #include <string>
 
 #include "gmock/gmock.h"
+#include "source_cell/unitcell.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_charge/charge.h" // IWYU: was transitively via elecstate.h
 #include "gtest/gtest.h"
 #define private public
 #define protected public

diff --git a/source/source_estate/update_pot.cpp b/source/source_estate/update_pot.cpp
@@ -1,4 +1,5 @@
 #include "source_estate/update_pot.h"
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 #include "source_estate/cal_ux.h"
 
 void elecstate::update_pot(UnitCell& ucell, // unitcell 

diff --git a/source/source_hsolver/hsolver_lcaopw.h b/source/source_hsolver/hsolver_lcaopw.h
@@ -4,6 +4,11 @@
 #include "source_estate/elecstate.h"
 #include "source_hamilt/hamilt.h"
 #include "source_base/macros.h"
+
+// Used only as a pointer member/param; forward-declared instead of including
+// pw_basis_k.h. Was previously reachable transitively through elecstate.h.
+namespace ModulePW { class PW_Basis_K; }
+
 namespace hsolver
 {
 

diff --git a/source/source_hsolver/hsolver_pw.cpp b/source/source_hsolver/hsolver_pw.cpp
@@ -1,4 +1,6 @@
 #include "hsolver_pw.h"
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
+#include "source_estate/module_pot/potential_new.h" // IWYU: elecstate.h no longer provides this transitively
 
 #include "source_base/parallel_comm.h"
 #include "source_base/global_variable.h"

diff --git a/source/source_hsolver/hsolver_pw_sdft.cpp b/source/source_hsolver/hsolver_pw_sdft.cpp
@@ -1,4 +1,5 @@
 #include "hsolver_pw_sdft.h"
+#include "source_estate/module_pot/potential_new.h" // IWYU: was transitively via elecstate.h
 
 #include "source_base/global_function.h"
 #include "source_base/parallel_device.h"

diff --git a/source/source_hsolver/test/hsolver_supplementary_mock.h b/source/source_hsolver/test/hsolver_supplementary_mock.h
@@ -1,5 +1,6 @@
 #pragma once
 #include "source_estate/elecstate_pw.h"
+#include "source_estate/module_charge/charge.h" // IWYU: elecstate.h no longer provides this transitively
 
 namespace elecstate
 {

diff --git a/source/source_hsolver/test/test_hsolver_pw.cpp b/source/source_hsolver/test/test_hsolver_pw.cpp
@@ -5,6 +5,8 @@
 #define private public
 #define protected public
 #include "source_io/module_parameter/parameter.h"
+#include "source_estate/module_pot/potential_new.h" // new elecstate::Potential (was transitively via elecstate.h)
+#include "source_cell/klist.h" // IWYU: was transitively via elecstate.h
 #include "source_hsolver/hsolver_pw.h"
 #include "source_hsolver/hsolver_lcaopw.h"
 #include "hsolver_supplementary_mock.h"