Refactor DeltaSpin step 2: add Tests and refactor - #7883

Merged

mohanchen merged 16 commits into

deepmodeling:developfrom

mohanchen:2026-08-30-line1

Sep 2, 2026

Commits on Aug 30, 2026

Test: add DeltaSpin integration tests with force/stress (PW + LCAO, nspin=2/4)
abacus_fixer
committed
3a96cd7
Refactor DeltaSpin, steps 1-2: extract ScState and solver-independent init
abacus_fixer
committed
c4e9da6
Refactor DeltaSpin, step 3: extract LCAO magnetic-moment path to free functions
abacus_fixer
committed
6b52e0e
Fix CUDA build: qualify tpiba via state_ in update_psi_charge_pw_gpu
abacus_fixer
committed
c49c67b
Refactor DeltaSpin, step 4: encapsulate PW subspace cache in SubspaceCache
abacus_fixer
committed
592e7d1
Refactor DeltaSpin, step 5: move PW implementation back to module_deltaspin
abacus_fixer
committed
dae8f04

Commits on Aug 31, 2026

tests/03_NAO_multik/scf_deltaspin4: relax per-case threshold for known chaotic stress
abacus_fixer
committed
2178b2d

Commits on Sep 1, 2026

remove deltaspin pw tests on GPU
abacus_fixer
committed
0275246
Fix ONSITE_PROJ force bugs on GPU and CPU
abacus_fixer
committed
83d4d0e
Merge branch 'develop' into 2026-08-30-line1
mohanchen
authored
905f820
Fix ODR violation from duplicate explicit instantiation of OperatorEXXPW
abacus_fixer
committed
073bf24

Commits on Sep 2, 2026

Merge branch 'develop' into 2026-08-30-line1
mohanchen
authored
c29975d
fix(exx): declare explicit specializations before extern template instantiation
abacus_fixer
committed
ec160ec
fix(exx): add explicit template instantiation in op_pw_exx_ace.cpp
abacus_fixer
committed
6ef7d52
fix(build): update Makefile.Objects for deltaspin_pw_impl migration
abacus_fixer
committed
4c587d1
fix bug
abacus_fixer
committed
fc3abab