Refactor DFT+U codes - #7852

Merged

mohanchen merged 8 commits into

deepmodeling:developfrom

mohanchen:2026-08-24

Aug 24, 2026

Commits on Aug 24, 2026

refactor(dftu): phase 1 - scaffold dftu_base.h/.cpp skeleton
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refactor(dftu): phase 2 - duplicate base members and implementations to dftu_base
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refactor(dftu): phase 3 - Plus_U inherits Plus_U_Base, remove duplicate members
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refactor(dftu): phase 4 - split init() into init_base + LCAO-specific setup
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refactor(dftu): phase 5 - move dftu_pw.cpp to source_pw/module_pwdft
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refactor(dftu): phase 6 - remove redundant dftu_io.cpp
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Phase 7: switch setup_pot/setup_dftu_pw to Plus_U_Base interface
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Phase A: extract output/write_occup_m as free functions in dftu_io namespace
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