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

Open

dyzheng wants to merge 21 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
committed
Feature(dftu-pw): add DFT+U occupation matrix mixing in Charge_Mixing
dyzheng
committed
Feature(dftu-pw): encapsulate Plus_U accessors and rewrite cal_occ_pw for nspin=1/2
dyzheng
committed
Feature(deltaspin-pw): add npol support, lambda strategies, PW subspace, direction_only
dyzheng
committed
Fix(dftu-pw): add npol=1 code paths for PW force/stress/onsite kernels
dyzheng
committed
Feature(dftu-pw): extend onsite projector and PW DFT+U/DeltaSpin for nspin=1/2
dyzheng
committed
Feature(dftu-pw): wire LCAO operators and ESolver for DFT+U/DeltaSpin nspin=1/2
dyzheng
committed
Refactor: vnl_pw simplification, remove TD_MovingGauge, minor module updates
dyzheng
committed
Test(dftu-pw): add 17_DS_DFTU integration test suite
dyzheng
committed
Fix(tests): correct CASES_CPU.txt directory names and regenerate result.ref files
dyzheng
committed
Fix: remove stale use_paw parameter from HSolverPW/DiagoDavid calls
dyzheng
committed
Docs: add DeltaSpin guide, sc_lambda_strategy/sc_direction_only params, PW DFT+U support
dyzheng
committed

Commits on May 4, 2026

Fix(PW): correct DFT+U force/stress spinor formula for npol=2
dyzheng
committed