Fix Pauli-to-Spinor Conversion in LCAO Non-Collinear Calculations#7513

Merged

mohanchen merged 11 commits into

deepmodeling:developfrom

dyzheng:fix_pauli_to_spinor

Jun 30, 2026

Commits on Jun 23, 2026

Commits on Jun 24, 2026

fix: correct DFT+U force for nspin=4 - DM is stored in Pauli basis, not spinor basis
dyzheng
committed
fix: remove force*=2.0 for nspin=4 in DeltaSpin - Pauli basis already covers all spin channels
dyzheng
committed

Commits on Jun 28, 2026

fix: correct DFT+U force/stress reference values and clean up empty nspin=4 block
dyzheng
committed