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abacus_fixer
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refactor: normalize H_/FORCE_/forces_ filenames (phase C)
Rename 21 files, add module suffixes for force files, and update header guards: Correction abbreviation: - H_correction_pw.cpp → h_corr_pw.cpp Hamiltonian uppercase prefixes (H_* → h_*): - H_Ewald_pw.{cpp,h} → h_ewald_pw.{cpp,h} - H_Hartree_pw.{cpp,h} → h_hartree_pw.{cpp,h} - H_TDDFT_pw.{cpp,h} → h_tddft_pw.{cpp,h} LCAO force files (FORCE_* → force_lcao_*, FORCE_STRESS → force_stress_lcao): - FORCE.h → force_lcao.h - FORCE_gamma.cpp → force_lcao_gamma.cpp - FORCE_k.cpp → force_lcao_k.cpp - FORCE_STRESS.{cpp,h} → force_stress_lcao.{cpp,h} PW force files (forces_* → force_pw_*, distinguish from LCAO): - forces.{cpp,h} → force_pw.{cpp,h} - forces_nl.cpp → force_pw_nl.cpp - forces_onsite.cpp → force_pw_onsite.cpp - forces_scc.cpp → force_pw_scc.cpp - forces_us.cpp → force_pw_us.cpp - forces_cc.cpp → force_pw_cc.cpp Test files: - opt_CG_test.cpp → opt_cg_test.cpp - opt_TN_test.cpp → opt_tn_test.cpp Header guards updated: HHARTREEPW_H → H_HARTREE_PW_H, FORCES_H → FORCE_PW_H. Update all #include references, CMakeLists.txt, and Makefile.Objects. Class/variable names preserved.
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65 files changed

Lines changed: 93 additions & 93 deletions

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source/Makefile.Objects

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@@ -248,8 +248,8 @@ OBJS_ELECSTAT=elecstate.o\
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potential_types.o\
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pot_sep.o\
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pot_local.o\
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H_Hartree_pw.o\
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H_TDDFT_pw.o\
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h_hartree_pw.o\
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h_tddft_pw.o\
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pot_xc.o\
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read_orb.o\
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setup_estate_pw.o\
@@ -497,7 +497,7 @@ OBJS_RELAXATION=relax_data.o\
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OBJS_SURCHEM=surchem.o\
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H_correction_pw.o\
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h_corr_pw.o\
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cal_epsilon.o\
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cal_pseudo.o\
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cal_totn.o\
@@ -657,9 +657,9 @@ OBJS_LCAO=evolve_elec.o\
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solve_propagation.o\
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boundary_fix.o\
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upsi.o\
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FORCE_STRESS.o\
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FORCE_gamma.o\
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FORCE_k.o\
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force_stress_lcao.o\
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force_lcao_gamma.o\
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force_lcao_k.o\
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stress_tools.o\
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edm.o\
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pulay_fs_center2.o\
@@ -714,7 +714,7 @@ OBJS_PARALLEL=parallel_common.o\
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parallel_reduce.o\
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parallel_device.o
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OBJS_SRCPW=H_Ewald_pw.o\
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OBJS_SRCPW=h_ewald_pw.o\
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dnrm2.o\
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vl_pw.o\
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vnl_pw.o\
@@ -737,12 +737,12 @@ OBJS_SRCPW=H_Ewald_pw.o\
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update_cell_pw.o\
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setup_dftu_pw.o\
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deltaspin_pw.o\
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forces.o\
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forces_us.o\
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forces_nl.o\
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forces_cc.o\
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forces_scc.o\
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forces_onsite.o\
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force_pw.o\
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force_pw_us.o\
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force_pw_nl.o\
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force_pw_cc.o\
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force_pw_scc.o\
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force_pw_onsite.o\
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onsite_proj_pw.o\
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fs_nonlocal_tools.o\
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fs_kin_tools.o\

source/source_base/test/CMakeLists.txt

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Original file line numberDiff line numberDiff line change
@@ -145,13 +145,13 @@ AddTest(
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AddTest(
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TARGET MODULE_BASE_opt_CG
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LIBS parameter base device
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SOURCES opt_CG_test.cpp opt_test_tools.cpp
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SOURCES opt_cg_test.cpp opt_test_tools.cpp
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)
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AddTest(
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TARGET MODULE_BASE_opt_TN
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LIBS parameter base device
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SOURCES opt_TN_test.cpp opt_test_tools.cpp
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SOURCES opt_tn_test.cpp opt_test_tools.cpp
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)
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AddTest(

source/source_esolver/esolver_double_xc.cpp

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,13 +1,13 @@
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#include "esolver_double_xc.h"
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3-
#include "source_hamilt/module_ewald/H_Ewald_pw.h"
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#include "source_hamilt/module_ewald/h_ewald_pw.h"
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#include "source_hamilt/module_xc/xc_functional.h"
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#ifdef __MLALGO
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#include "source_lcao/module_deepks/lcao_deepks.h"
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#include "source_lcao/module_deepks/lcao_deepks_iface.h"
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#include "source_lcao/module_deepks/lcao_deepks_io.h"
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#endif
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#include "source_lcao/FORCE_STRESS.h"
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#include "source_lcao/force_stress_lcao.h"
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//-----HSolver ElecState Hamilt--------
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#include "source_estate/elecstate_lcao.h"

source/source_esolver/esolver_fp.cpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
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#include "source_estate/module_charge/symmetry_rho.h"
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#include "source_cell/read_pseudo.h"
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#include "source_estate/param_update.h"
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#include "source_hamilt/module_ewald/H_Ewald_pw.h"
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#include "source_hamilt/module_ewald/h_ewald_pw.h"
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#include "source_hamilt/module_vdw/vdw.h"
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#include "source_io/module_output/output_log.h"
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#include "source_io/module_output/print_info.h"

source/source_esolver/esolver_ks_lcao.cpp

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Original file line numberDiff line numberDiff line change
@@ -8,7 +8,7 @@
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#include "source_hamilt/hs_matrix_k.h"
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#include "source_estate/module_charge/symmetry_rho.h"
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#include "source_lcao/lcao_domain.h" // need DeePKS_init
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#include "source_lcao/FORCE_STRESS.h"
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#include "source_lcao/force_stress_lcao.h"
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#include "source_hamilt/module_gint/gint.h"
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#include "source_estate/elecstate_lcao.h"
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#include "source_lcao/hamilt_lcao.h"

source/source_esolver/esolver_ks_lcao_tddft.cpp

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Original file line numberDiff line numberDiff line change
@@ -16,7 +16,7 @@
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#include "source_estate/module_charge/symmetry_rho.h"
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#include "source_estate/module_dm/cal_dm_psi.h"
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#include "source_estate/module_dm/cal_edm_tddft.h"
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#include "source_estate/module_pot/H_TDDFT_pw.h"
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#include "source_estate/module_pot/h_tddft_pw.h"
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#include "source_estate/module_pot/potential_new.h"
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#include "source_estate/module_pot/td_field_manager.h"
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#include "source_hsolver/hsolver_lcao.h"

source/source_esolver/esolver_ks_lcaopw.cpp

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Original file line numberDiff line numberDiff line change
@@ -6,9 +6,9 @@
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//--------------temporary----------------------------
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#include "source_estate/module_charge/symmetry_rho.h"
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#include "source_estate/occupy.h"
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#include "source_hamilt/module_ewald/H_Ewald_pw.h"
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#include "source_hamilt/module_ewald/h_ewald_pw.h"
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//-----force-------------------
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#include "source_pw/module_pwdft/forces.h"
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#include "source_pw/module_pwdft/force_pw.h"
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//-----stress------------------
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#include "source_pw/module_pwdft/stress_pw.h"
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//---------------------------------------------------

source/source_esolver/esolver_ks_pw.cpp

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@@ -6,7 +6,7 @@
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#include "source_hsolver/diago_params.h"
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#include "source_hsolver/hsolver_pw.h"
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#include "source_io/module_parameter/parameter.h"
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#include "source_pw/module_pwdft/forces.h"
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#include "source_pw/module_pwdft/force_pw.h"
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#include "source_pw/module_pwdft/hamilt_pw.h"
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#include "source_pw/module_pwdft/stress_pw.h"
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