feat(dpmodel): complete DPA4/SeZM SO3 grid projection (mirror current pt) - #5555

Merged

wanghan-iapcm merged 18 commits into

deepmodeling:masterfrom

wanghan-iapcm:feat-dpmodel-dpa4-so3grid-v2

Jun 19, 2026

Commits on Jun 18, 2026

feat(dpmodel): add _project_frames helper for frame-aware DPA4 grid ops
Han Wang
committed
fc683d3
feat(dpmodel): generalize GridMLP to frame-aware (n_frames) for DPA4 SO3 grid
Han Wang
committed
9e3dbec
feat(dpmodel): generalize GridBranch to frame-aware (n_frames) for DPA4 SO3 grid
Han Wang
committed
db407ba
feat(dpmodel): generalize BaseGridNet (cross/flat/residual/n_frames>1) for DPA4 SO3 grid
Han Wang
committed
8e2ca7c
feat(dpmodel): port FrameContract/FrameExpand per-degree frame mixers for DPA4 SO3 grid
Han Wang
committed
e29a8c1
feat(dpmodel): port resolve_so3_grid + _build_so3_frame_set for DPA4 SO3 grid
Han Wang
committed
8f0b63a
test(dpmodel): cover SO3 grid util edge branches; refresh projection docstring
Han Wang
committed
937abc9
feat(dpmodel): port SO3GridProjector (Wigner-D grid quadrature) for DPA4
Han Wang
committed
09d3ddd
feat(dpmodel): port SO3GridNet (self+cross) for DPA4 SO3 grid
Han Wang
committed
28269e5
feat(dpmodel): wire SO3GridNet into FFN (un-guard ffn_so3_grid) for DPA4
Han Wang
committed
8038577
feat(dpmodel): wire SO3/S2 cross-mode grid products into SO2Convolution for DPA4
Han Wang
committed
e4937ff
test(dpmodel): add fp32 grid-path parity for DPA4 SO3 grid
Han Wang
committed
6fb8997
test(dpmodel): DPA4 SO3-grid consistency rows + descriptor interop + invariance
Han Wang
committed
50d9df3
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
4a7be0e
fix(dpmodel): address AI-review findings on DPA4 SO3 grid (#5555)
Han Wang
committed
c56cdc2
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
83e0b79

Commits on Jun 19, 2026

fix(dpmodel): require nested projector @version; narrow version test (#5555)
Han Wang
committed
8b8608b
ci: re-trigger readthedocs/CI (suspected transient post_install network failure)
Han Wang
committed
be4e13c

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feat(dpmodel): complete DPA4/SeZM SO3 grid projection (mirror current pt) - #5555

feat(dpmodel): complete DPA4/SeZM SO3 grid projection (mirror current pt)#5555
wanghan-iapcm merged 18 commits into
deepmodeling:masterfrom
wanghan-iapcm:feat-dpmodel-dpa4-so3grid-v2

Commits on Jun 18, 2026

feat(dpmodel): add _project_frames helper for frame-aware DPA4 grid ops

feat(dpmodel): generalize GridMLP to frame-aware (n_frames) for DPA4 SO3 grid

feat(dpmodel): generalize GridBranch to frame-aware (n_frames) for DPA4 SO3 grid

feat(dpmodel): generalize BaseGridNet (cross/flat/residual/n_frames>1) for DPA4 SO3 grid

feat(dpmodel): port FrameContract/FrameExpand per-degree frame mixers for DPA4 SO3 grid

feat(dpmodel): port resolve_so3_grid + _build_so3_frame_set for DPA4 SO3 grid

test(dpmodel): cover SO3 grid util edge branches; refresh projection docstring

feat(dpmodel): port SO3GridProjector (Wigner-D grid quadrature) for DPA4

feat(dpmodel): port SO3GridNet (self+cross) for DPA4 SO3 grid

feat(dpmodel): wire SO3GridNet into FFN (un-guard ffn_so3_grid) for DPA4

feat(dpmodel): wire SO3/S2 cross-mode grid products into SO2Convolution for DPA4

test(dpmodel): add fp32 grid-path parity for DPA4 SO3 grid

test(dpmodel): DPA4 SO3-grid consistency rows + descriptor interop + invariance

[pre-commit.ci] auto fixes from pre-commit.com hooks

fix(dpmodel): address AI-review findings on DPA4 SO3 grid (#5555)

[pre-commit.ci] auto fixes from pre-commit.com hooks

Commits on Jun 19, 2026

fix(dpmodel): require nested projector @version; narrow version test (#5555)

ci: re-trigger readthedocs/CI (suspected transient post_install network failure)