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Refactor: remove some unhealthy include dependencies #7512

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Refactor: remove some unhealthy include dependencies #7512

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894a42c
refactor(pw): remove dead esolver include from hamilt_pw.h
Critsium-xy Jun 23, 2026
d35a362
refactor(surchem): forward-declare pw types in surchem.h
Critsium-xy Jun 23, 2026
6365d14
fix(surchem): include structure_factor.h in cal_pseudo.cpp
Critsium-xy Jun 23, 2026
4ffc102
style(surchem): drop verbose comment on forward declarations
Critsium-xy Jun 23, 2026
a2a7259
style(surchem): add a one-line note on the forward declarations
Critsium-xy Jun 23, 2026
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1 change: 1 addition & 0 deletions source/source_esolver/esolver_fp.h
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@
#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
#include "source_pw/module_pwdft/parallel_grid.h" // Parallel_Grid (value member below)
#include "source_pw/module_pwdft/vl_pw.h" // local pseudopotential
#include "source_pw/module_pwdft/structure_factor.h" // structure factor

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2 changes: 2 additions & 0 deletions source/source_hamilt/module_surchem/cal_pseudo.cpp
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Original file line number Diff line number Diff line change
@@ -1,5 +1,7 @@
#include "surchem.h"

#include "source_pw/module_pwdft/structure_factor.h" // Structure_Factor member access (sf->strucFac)

// atom_in surchem::GetAtom;

void surchem::gauss_charge(const UnitCell& cell,
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6 changes: 4 additions & 2 deletions source/source_hamilt/module_surchem/surchem.h
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Expand Up @@ -6,8 +6,10 @@
#include "source_base/matrix.h"
#include "source_basis/module_pw/pw_basis.h"
#include "source_cell/unitcell.h"
#include "source_pw/module_pwdft/parallel_grid.h"
#include "source_pw/module_pwdft/structure_factor.h"

// forward-declared: used below only as pointer/reference
class Parallel_Grid;
class Structure_Factor;

class surchem
{
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1 change: 1 addition & 0 deletions source/source_pw/module_pwdft/forces.cpp
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Expand Up @@ -17,6 +17,7 @@
#include "source_estate/module_pot/gatefield.h"
#include "source_hamilt/module_ewald/H_Ewald_pw.h"
#include "source_hamilt/module_surchem/surchem.h"
#include "source_pw/module_pwdft/structure_factor.h" // Structure_Factor member access (p_sf->strucFac)
#include "source_hamilt/module_vdw/vdw.h"

#ifdef _OPENMP
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1 change: 0 additions & 1 deletion source/source_pw/module_pwdft/hamilt_pw.h
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Expand Up @@ -4,7 +4,6 @@
#include "source_base/kernels/math_kernel_op.h"
#include "source_base/macros.h"
#include "source_cell/klist.h"
#include "source_esolver/esolver_ks_pw.h"
#include "source_estate/module_pot/potential_new.h"
#include "source_hamilt/hamilt.h"
#include "source_lcao/module_dftu/dftu.h" // mohan add 2025-11-06
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