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fa95038
style(dfpt): reformat module_dfpt C++ sources with clang-format
Sep 2, 2026
db5120e
feat(dfpt): add TITLE and timer instrumentation to module_dfpt
Sep 2, 2026
b46904c
refactor(dfpt): extract helpers in DFPT_Rho to cut cyclomatic complexity
Sep 2, 2026
16e2e90
refactor(dfpt): modernize DFPT_Rho mixer_ and init signature
Sep 2, 2026
edfcfb0
refactor(dfpt): split DFPT_Q0::pos_matrix and name empirical thresholds
Sep 2, 2026
f3b51c2
refactor(dfpt): split DFPT_Phon Ewald and electronic terms into own f…
Sep 2, 2026
0fce619
refactor(dfpt): split DFPT_Pert KB-projector and nonlocal terms into …
Sep 2, 2026
1499e62
remove some notes
Sep 2, 2026
fff9b5d
refactor(dfpt): extract DFPT_PW::Impl header + InitContext + smart pt…
Sep 2, 2026
26b5489
refactor(dfpt): split DFPT_PW init/build_occ_kq and run dispatchers i…
Sep 2, 2026
c1dba32
refactor(dfpt): extract DFPT_PW::solve_displacement + assemble_v_sc h…
Sep 2, 2026
8395b3c
refactor(dfpt): extract DFPT_PW q=0 solves (pos + efield SCF) into df…
Sep 2, 2026
8f7cd2b
test(dfpt): remove #define private public hacks; expose stateless bui…
Sep 2, 2026
7d2a990
fix(source_cell): harden input validation and memory safety in k/q-li…
Sep 2, 2026
53c57bb
test(source_cell): cover q-list input paths and MP reduce_ibz; drop d…
Sep 2, 2026
de87c36
refactor(source_cell): extract shared restrict_kpt; drop unreachable …
Sep 2, 2026
be4a82b
refactor(source_cell): split K_Vectors::read_kpoints; trim qlist.h in…
Sep 2, 2026
c2a101b
refactor(source_cell): fold KVectorUtils shim back into K_Vectors mem…
Sep 2, 2026
d6d129d
refactor(source_cell): thread ofs_running explicitly through K_Vectors
Sep 2, 2026
b87874d
refactor(source_cell): pass running-log stream to ReciprocalGrid::set…
Sep 2, 2026
77ca0c1
refactor: remove PARAM references from klist_test and reduce PARAM ca…
Sep 2, 2026
fb3f050
refactor(kedf_xwm): pass nspin as parameter instead of accessing PARAM
Sep 2, 2026
8654fa1
refactor(kedf_vw): cache nspin as local const to reduce PARAM access
Sep 2, 2026
a2b96ee
build(dfpt): add new split dfpt object files to Makefile.Objects
Sep 2, 2026
5b01339
Merge branch 'develop' into 2026-09-02-line2-DFPT
mohanchen Sep 2, 2026
fac954b
fix(esolver_factory): initialize gamma_only from PARAM.globalv.gamma_…
Sep 2, 2026
d91fada
Merge branch '2026-09-02-line2-DFPT' of github.com:mohanchen/abacus-m…
Sep 2, 2026
b8c9454
update dn_out
Sep 2, 2026
e7bec2c
add set_dpsi
Sep 2, 2026
705ea1c
Merge branch 'develop' into 2026-09-02-line2-DFPT
mohanchen Sep 2, 2026
7193ac2
Merge remote-tracking branch 'upstream/develop' into 2026-09-02-line2…
Sep 2, 2026
0c6e8da
Merge branch '2026-09-02-line2-DFPT' of github.com:mohanchen/abacus-m…
Sep 2, 2026
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14 changes: 11 additions & 3 deletions source/Makefile.Objects
Original file line number Diff line number Diff line change
Expand Up @@ -211,7 +211,6 @@ OBJS_CELL=atom_pseudo.o\
print_cell.o\
setup_nonlocal.o\
klist.o\
k_vector_utils.o\
reciprocal_grid.o\
cell_index.o\
cell_tools.o\
Expand Down Expand Up @@ -375,14 +374,23 @@ OBJS_HAMILT_OF=kedf_tf.o\
kedf_manager.o\
evolve_ofdft.o\

OBJS_DFPT=dfpt_metal.o\
dfpt_hamilt_shift.o\
OBJS_DFPT=dfpt_hamilt_shift.o\
dfpt_kq_basis.o\
dfpt_metal.o\
dfpt_pert.o\
dfpt_pert_nl.o\
dfpt_pert_vkb.o\
dfpt_phon.o\
dfpt_phon_elec.o\
dfpt_phon_ewald.o\
dfpt_pw.o\
dfpt_pw_data.o\
dfpt_pw_init.o\
dfpt_pw_q0.o\
dfpt_pw_run.o\
dfpt_pw_solve.o\
dfpt_q0.o\
dfpt_q0_pos.o\
dfpt_rho.o\
dfpt_stern.o

Expand Down
1 change: 0 additions & 1 deletion source/source_cell/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,6 @@ add_library(
read_stru.cpp
print_cell.cpp
read_atom_species.cpp
k_vector_utils.cpp
sep.cpp
sep_cell.cpp
qlist.cpp
Expand Down
209 changes: 0 additions & 209 deletions source/source_cell/k_vector_utils.cpp

This file was deleted.

140 changes: 0 additions & 140 deletions source/source_cell/k_vector_utils.h

This file was deleted.

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