Feature: DeltaSpin for LCAO and PW base and DFTU for PW, both collinear and noncollinear spin#7304

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dyzheng wants to merge 51 commits intodeepmodeling:developfrom

dyzheng:feat/dftu-pw-port-v2

Commits on May 1, 2026

Feature(dftu-pw): add DeltaSpin strategy input parameters and relax DFT+U nspin validation
dyzheng
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Feature(dftu-pw): add DFT+U occupation matrix mixing in Charge_Mixing
dyzheng
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Feature(dftu-pw): encapsulate Plus_U accessors and rewrite cal_occ_pw for nspin=1/2
dyzheng
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Feature(deltaspin-pw): add npol support, lambda strategies, PW subspace, direction_only
dyzheng
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Fix(dftu-pw): add npol=1 code paths for PW force/stress/onsite kernels
dyzheng
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Feature(dftu-pw): extend onsite projector and PW DFT+U/DeltaSpin for nspin=1/2
dyzheng
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Feature(dftu-pw): wire LCAO operators and ESolver for DFT+U/DeltaSpin nspin=1/2
dyzheng
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Refactor: vnl_pw simplification, remove TD_MovingGauge, minor module updates
dyzheng
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Test(dftu-pw): add 17_DS_DFTU integration test suite
dyzheng
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Fix(tests): correct CASES_CPU.txt directory names and regenerate result.ref files
dyzheng
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Fix: remove stale use_paw parameter from HSolverPW/DiagoDavid calls
dyzheng
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Docs: add DeltaSpin guide, sc_lambda_strategy/sc_direction_only params, PW DFT+U support
dyzheng
committed

Commits on May 5, 2026

Commits on May 8, 2026