Remove GlobalC::exx_info entirely, refactor ESolver, add esolver_refactor.cpp, remove most PARAM in ESolver - #7805

Merged

mohanchen merged 58 commits into

deepmodeling:developfrom

mohanchen:2026-08-12

Aug 21, 2026

Commits on Aug 10, 2026

refactor: shorten long filenames in source (phase 1)
abacus_fixer
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b31ed6a
refactor: shorten long filenames in source (phase 2)
abacus_fixer
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334391a
refactor: shorten long filenames in source (phase 3)
abacus_fixer
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cf02d81
refactor: shorten long filenames in source (phase 4)
abacus_fixer
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1d72486
refactor: shorten long filenames in source (phase 4)
abacus_fixer
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301c118
refactor: shorten long filenames in source (phase 5, revised)
abacus_fixer
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8c336be
refactor: normalize LCAO_ prefix filenames to lowercase (phase A)
abacus_fixer
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82f448b
refactor: normalize ORB_ prefix filenames to lowercase (phase B)
abacus_fixer
committed
829da33
refactor: normalize ORB_ prefix filenames to lowercase (phase B)
abacus_fixer
committed
5d7c566
refactor: normalize H_/FORCE_/forces_ filenames (phase C)
abacus_fixer
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c8a98dd
refactor: normalize Matrix_/Mix_/RI_/RPA_/LRI_ filenames (phase D)
abacus_fixer
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c0317b7
refactor: replace dashes with underscores in filenames (phase E)
abacus_fixer
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efab52d
refactor: normalize remaining uppercase filenames to lowercase (phase F)
abacus_fixer
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8814e96
Rename test files to follow source file renames
abacus_fixer
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7569c7b
update
abacus_fixer
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9b00acc
Simplify test file names using standard abbreviations (Phase G2)
abacus_fixer
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8d83710
Replace dashes with underscores in test file names (Phase G3)
abacus_fixer
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4d8bba8
Rename: normalize source file naming across modules
abacus_fixer
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6335265

Commits on Aug 11, 2026

Merge upstream/develop into 2026-08-10-b
abacus_fixer
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4918f95
update makefile in module_pw
abacus_fixer
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7732d83
solve conflict
abacus_fixer
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50d5f88
Merge upstream/develop into 2026-08-10-b
abacus_fixer
committed
3da00cb
Fix psi_init_atom_rand to match updated base class interface
abacus_fixer
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b661c39
Add missing pw_basis_k.h include to psi_init_atom_rand.cpp
abacus_fixer
committed
762819d

Commits on Aug 12, 2026

Merge upstream/develop into 2026-08-10-b
abacus_fixer
committed
5117591
Merge remote-tracking branch 'upstream/develop' into 2026-08-10-b
abacus_fixer
committed
6821497
refactor(exx): bridge GlobalC::exx_info through ESolver_KS member pointer
abacus_fixer
committed
e5be398
refactor(exx): pass Exx_Info through LCAO module parameters
abacus_fixer
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1f71aa6
refactor(exx): pass Exx_Info through PW module parameters
abacus_fixer
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2dc055d
refactor(exx): ESolver_KS owns Exx_Info value object
abacus_fixer
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0b727a0
refactor(exx): remove GlobalC::exx_info global variable
abacus_fixer
committed
156e887

Commits on Aug 13, 2026

solve conflicts
abacus_fixer
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369ac5b
move function from constructor to before_all_runners
abacus_fixer
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b06e263
clean exx_info_
abacus_fixer
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c341a0f
fix bug
abacus_fixer
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75f5d88
refactor(exx): extract CoulombParam types into coulomb_config.h
abacus_fixer
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ab83d59
refactor(exx): extract General_Exx_Info and init_general_exx_info
abacus_fixer
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2c1befe
refactor(exx): switch PW interfaces from Exx_Info to General_Exx_Info
abacus_fixer
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17276cf
refactor(exx): move Exx_Info from ESolver_KS to ESolver_KS_LCAO
abacus_fixer
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ecd2133
refactor(exx): update exx_info_lip.h to use coulomb_config.h
abacus_fixer
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cead755
refactor(esolver): extract init_esolver factory from base class file
abacus_fixer
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ff4b003
remove PARAM.inp in esolver
abacus_fixer
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1571b93
merge BSE
abacus_fixer
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35067e5
Refactor ESolver_LR: remove redundant input member, use base class inp_
abacus_fixer
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afff611
fix bug
abacus_fixer
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7a6f322
move codes in ESolver_KS_LCAO_TDDFT constructor to before_all_runners
abacus_fixer
committed
91a92ba
delete useless constructor in sto_che
abacus_fixer
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defb912
Merge branch 'develop' into 2026-08-12
mohanchen
authored
af6ee17
support C++11 only
abacus_fixer
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3b4c554
Merge branch '2026-08-12' of github.com:mohanchen/abacus-mc into 2026-08-12
abacus_fixer
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6758930

Commits on Aug 14, 2026

update esolvers
abacus_fixer
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6e1518c
Merge branch 'develop' into 2026-08-12
mohanchen
authored
6c76e7a

Commits on Aug 19, 2026

Fix EXX dH null-deref: require Exx_Info in OperatorEXX, thread through write_dH_exx path
abacus_fixer
committed
1df2efc
Merge upstream/develop into 2026-08-12
abacus_fixer
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6c3d83c
Merge remote-tracking branch 'origin/2026-08-12' into 2026-08-12
abacus_fixer
committed
d8d7650

Commits on Aug 20, 2026

remove PARAM
abacus_fixer
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3553688
fix bug in lr-tddft
abacus_fixer
committed
b7f110e
Merge branch 'develop' into 2026-08-12
mohanchen
authored
04912f8