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Commit 377bc32

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dyzheng
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Feat(deltaspin): add DeltaSpin for PW basis (nspin=1/2/4), lambda update strategies, and direction_only mode
- Port DeltaSpin to PW basis for nspin=1/2/4 - Add lambda update strategies: BFGS, full/incremental, controlled by sc_lambda_strategy - Add direction_only constraint mode for noncollinear calculations (sc_direction_only) - Add sc_scf_thr_mode parameter (off/immediate) - Add sc_strategy and sc_dir_phase1_steps parameters - Fix E_lambda formula: -sum(lambda*(Mi-Mtarget)) instead of -sum(lambda*Mi) - Unify lambda sign convention to E' = E + lambda*(M - Mtarget) across PW and LCAO - Fix reduce_double_allpool communicator size (GlobalV::NPROC_IN_POOL) - Fix run_lambda_loop iteration indexing in PW path - Fix SCF crash and charge-density sync issues in LCAO DeltaSpin - Fix segfault in cal_escon() by adding empty-check guard - Fix memory leak in cal_pre_HR() when reinitialized - Propagate current_spin through operator chain in init() - Add nspin=1 support for PW DeltaSpin and fix collinear constraint - Add #ifdef __LCAO guards for LCAO-only code - Refactor: cache PARAM.inp values, add SpinConstrain getters - Add comprehensive DeltaSpin documentation - Add tests for sc_scf_thr_mode, sc_dir_phase1_steps, and direction_only - Includes DFT+U PW basis fixes (issue deepmodeling#7726)
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