DFT+U refactor, step 7 - #7909

Merged

mohanchen merged 13 commits into

deepmodeling:developfrom

mohanchen:2026-09-04-line2

Sep 6, 2026

Commits on Sep 4, 2026

feat(estate): add OccMatMixer skeleton for DFT+U occupation mixing
abacus_fixer
committed
d5966aa
refactor(pwdft): attach OccMatMixer to Plus_U_Base (transitional)
abacus_fixer
committed
f95be03
refactor(pwdft): route cal_occ_pw mixing through OccMatMixer
abacus_fixer
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bfb25c3
refactor(estate): switch PW uom allocation to OccMatMixer flat_size
abacus_fixer
committed
5c359f6
refactor(pwdft): drop dead uom_array/uom_save/is_mixing_enabled
abacus_fixer
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f4c930d
refactor(dftu): route LCAO plain mixing through OccMatMixer::mix_plain
abacus_fixer
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f601c7e
refactor(pwdft): remove mixing_dftu member and dead enable_mixing calls
abacus_fixer
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1a8cfd2
add ut for occ_mixer
abacus_fixer
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2198f87
Merge upstream/develop into 2026-09-04-line2
abacus_fixer
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f13e692
fix(dftu): serialize occ_save in write_save_to_flat; fix test double-free
abacus_fixer
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f31eb5c
build(Makefile): add occ_mixer.o to OBJS_ELECSTAT
abacus_fixer
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b3a68d8
Merge branch 'develop' into 2026-09-04-line2
mohanchen
authored
270b314
fix(base): update test call sites to world_comm_domain()
abacus_fixer
committed
c88287c