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Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4 autoset - #8079

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mohanchen merged 25 commits into

deepmodeling:developfrom

mohanchen:2026-10-06-a

Oct 10, 2026

Commits on Oct 5, 2026
- Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4 autoset
  abacus_fixer
  committed
  98e3f81
Commits on Oct 6, 2026
- Fix parameters.yaml sync: add noncolin notes to C++ description source
  abacus_fixer
  committed
  9d8317c
- Test: update ReadAtomPositionsAutosetMag for nspin=4 zero-moment start
  abacus_fixer
  committed
  ffaeba6
- Test: split cal_ux tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  5306acf
- Test: split read_orb tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  18fb06b
- Test: move compare_atom_labels/print_unitcell_pseudo tests to readpp suite
  abacus_fixer
  committed
  cda48b0
- Test: split update_cell tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  27ae2da
- Test: move print_cell/print_tau tests into MODULE_CELL_print_cell_test
  abacus_fixer
  committed
  974ba84
- Test: split cell_tools free-function tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  016e69e
- Test: split read_atom_species tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  5d6950f
- Test: split read_atoms tests out of MODULE_CELL_unitcell_test
  abacus_fixer
  committed
  55c4f5f
- update initialized mag
  abacus_fixer
  committed
  8c314ef
- Merge branch 'develop' into 2026-10-06-a
  mohanchen
  authored
  67147d0
- move 057_PW_SO_IW test to scf_in_wf_spin4
  abacus_fixer
  committed
  7e79a8a
- move 035_PW_15_SO to scf_spin4
  abacus_fixer
  committed
  f42d24e
- add comments about mag for nspin=4 calculations
  abacus_fixer
  committed
  b8ce15c
- try to fix bug for nspin=4
  abacus_fixer
  committed
  3d6bc87
- Merge branch 'pr8079' into 2026-10-06-a
  abacus_fixer
  committed
  adca5d3
Commits on Oct 8, 2026
- update mag
  abacus_fixer
  committed
  d8f6322
Commits on Oct 9, 2026
- fix bug by change slightly the reference forces of the example 03_NAO_multik/scf_out_dos_spin4
  abacus_fixer
  committed
  45afdb8
- Merge branch 'develop' into 2026-10-06-a
  mohanchen
  authored
  93abd5e
- fix(cell): report the nspin=4 zero-moment start on every code path
  
  Critsium-xy
  and
  claude
  committed
  355d2a3
- docs: align the magnetization autoset docs with the new behavior
  
  Critsium-xy
  and
  claude
  committed
  c6c6480
- chore: follow the test rename and separate a shared test log
  
  Critsium-xy
  and
  claude
  committed
  ee5d253
- Merge branch 'develop' into 2026-10-06-a
  mohanchen
  authored
  6313fa8

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Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4 autoset - #8079

Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4 autoset#8079
mohanchen merged 25 commits into
deepmodeling:developfrom
mohanchen:2026-10-06-a

Commits on Oct 5, 2026

Fix #5021 #5939: warn on ignored x/y magnetization and remove nspin=4 autoset

Commits on Oct 6, 2026

Fix parameters.yaml sync: add noncolin notes to C++ description source

Test: update ReadAtomPositionsAutosetMag for nspin=4 zero-moment start

Test: split cal_ux tests out of MODULE_CELL_unitcell_test

Test: split read_orb tests out of MODULE_CELL_unitcell_test

Test: move compare_atom_labels/print_unitcell_pseudo tests to readpp suite

Test: split update_cell tests out of MODULE_CELL_unitcell_test

Test: move print_cell/print_tau tests into MODULE_CELL_print_cell_test

Test: split cell_tools free-function tests out of MODULE_CELL_unitcell_test

Test: split read_atom_species tests out of MODULE_CELL_unitcell_test

Test: split read_atoms tests out of MODULE_CELL_unitcell_test

update initialized mag

Merge branch 'develop' into 2026-10-06-a

move 057_PW_SO_IW test to scf_in_wf_spin4

move 035_PW_15_SO to scf_spin4

add comments about mag for nspin=4 calculations

try to fix bug for nspin=4

Merge branch 'pr8079' into 2026-10-06-a

Commits on Oct 8, 2026

update mag

Commits on Oct 9, 2026

fix bug by change slightly the reference forces of the example 03_NAO_multik/scf_out_dos_spin4

Merge branch 'develop' into 2026-10-06-a

fix(cell): report the nspin=4 zero-moment start on every code path

docs: align the magnetization autoset docs with the new behavior

chore: follow the test rename and separate a shared test log

Merge branch 'develop' into 2026-10-06-a