feat(dpa4): DPA4/SeZM on the NeighborGraph lower — graph-native port, multi-rank, native spin, charge-spin/bridging - #5884

Merged

wanghan-iapcm merged 221 commits into

deepmodeling:masterfrom

wanghan-iapcm:feat-graph-dpa4

Jul 26, 2026

Commits on Jul 12, 2026

feat(dpmodel): segment_max/segment_softmax over trailing feature dims
Han Wang
committed
8bea38f
feat(dpmodel): repformer graph twins for cal_hg/cal_grrg/symmetrization_op
Han Wang
committed
ba95854
feat(dpmodel): repformer layer graph twins for g1_conv / g2_g1g1
Han Wang
committed
79dc371
refactor(dpmodel): graph-twin naming convention <func_name>_graph
Han Wang
committed
b513622
feat(dpmodel): graph twins for repformer attention ops
Han Wang
committed
2c32acc
feat(dpmodel): RepformerLayer.call_graph
Han Wang
committed
83babe4
test(dpmodel): cover update_chnnl_2=False and cal_gg1=None in RepformerLayer.call_graph parity
Han Wang
committed
b75374f
feat(dpmodel): DescrptBlockRepformers.call_graph + exchange seam
Han Wang
committed
a1e00c3
feat(dpmodel): graph-native DPA2 (uses_graph_lower, call_graph, dense adapter)
Han Wang
committed
3b89378
test(dpmodel): pin dpa2 adapter davg-nonzero divergence; exercise real _block_graph
Han Wang
committed
21a4ee1
docs(dpmodel): correct davg-residual root-cause framing in dpa2 call_graph Notes
Han Wang
committed
9fbe20d
feat(pt_expt): dpa2 graph lower routing tests + border_op graph exchange
Han Wang
committed
69f4c4b
test(pt_expt): pin repformer parallel test to the dense route
Han Wang
committed
6c7c7f4
feat(dpmodel,pt_expt): owned-node (n_local) energy mask in graph output reduction
Han Wang
committed
b08304d
feat(pt_expt): with-comm graph .pt2 artifact for message-passing models
Han Wang
committed
650b715
test(cc): dpa2 graph .pt2 fixtures + universal gtest row
Han Wang
committed
99d714e
feat(cc): multi-rank message-passing graph route (run_model_graph_with_comm)
Han Wang
committed
c9e91ae
fix(cc): fail loudly on empty rank in MP graph route; fix stale comment
Han Wang
committed
fef2d53
test(lmp): dpa2 graph LAMMPS single- and multi-rank tests
Han Wang
committed
83179f1
fix(cc): put nlocal/nghost comm tensors on model device for graph with-comm route
Han Wang
committed
b0fe611
docs: DPA-2 graph-native inference route (pt_expt)
Han Wang
committed
6d7e151

Commits on Jul 13, 2026

test(lmp): scale dpa2 MP virial tolerance; bound empty-rank deadlock with timeout
Han Wang
committed
1e9c15b
fix(pt_expt): derive graph-trace device from model params, not global DEVICE
Han Wang
committed
966d378
test(pt_expt): dpa2 joins KNOWN_GRAPH_DENSE_DIVERGENT in default-fallback test
Han Wang
committed
9a365e3
test(pt_expt): per-model divergence envelopes in default-fallback test
Han Wang
committed
854d654
[pre-commit.ci] auto fixes from pre-commit.com hooks

pre-commit-ci[bot]
authored and
Han Wang
committed
2e49936
style: fix ruff C408/B905 in repformer graph-ops test
Han Wang
committed
1e5cd13
fix(dpmodel): dpa2 dense call must not route through divergent graph adapter
Han Wang
committed
bc0d70a
test(dpa2): exclude AOTInductor graph .pt2 from LeakSanitizer build
Han Wang
committed
778a4bc
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
37863e2
test(dpa2): make LSAN graph-section skip deterministic via explicit env flag
Han Wang
committed
10a359d
docs(dpa2): note graph-route attention cutoff smoothness
Han Wang
committed
c633186
feat(dpmodel): fixed-phantom-count smooth attention on the dpa2 graph route
Han Wang
committed
2c29ace
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
4b96fdb

Commits on Jul 14, 2026

docs(dpmodel): numpydoc sections for the phantom-compensated attention kernels
Han Wang
committed
b73302b
docs(dpmodel,pt_expt): numpydoc sections for all remaining PR-added methods
Han Wang
committed
58c23e4
fix(pt_expt): collective empty-rank preflight + extended-axis aparam on graph MP route
Han Wang
committed
34370df
test(dpa2): address review nits (pairs=None coverage, dup fixture, NoPBC check, unused import)
Han Wang
committed
314a371
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
9e33f1c
test(dpa2): tighten graph-vs-dense envelope post-compensation + prove graph route taken
Han Wang
committed
569dfd7
test(lammps): DPA2 graph empty-subdomain (nlocal=0, nghost>0) MP==SP regression
Han Wang
committed
1265c66
docs(dpa2): document pt_expt eager/training default-flip + legacy escape hatch
Han Wang
committed
a266a3b
feat(pt_expt): graph-native Hessian + fix fparam graph export/train (OutisLi P1s)
Han Wang
committed
ffbc655
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
b048e23
fix(pt_expt): derive graph trace edge_capacity from real edge count, not sel
Han Wang
committed
2acc142
fix(pt_expt,dpmodel): graph-lower aparam is flat (N, nda) on the node axis
Han Wang
committed
37ce12d
fix(pt_expt): gate the graph default-flip to energy-output models
Han Wang
committed
cc29057
fix(cc): graph aparam width + ghost-only-rank synthesis; bound all MPI test runs
Han Wang
committed
e95f2ba
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
569d40c
perf(cc,pt_expt): cache empty-rank preflight on ago==0; split n_local from host comm scalars
Han Wang
committed
acc973d
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
a2496a0
fix(pt_expt): persist disable_graph_lower across checkpoint restart
Han Wang
committed
994813b
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
bb4d6c2
fix(dpmodel): signed phantom count -- smooth graph attention for arbitrary degree
Han Wang
committed
ad0a954

Commits on Jul 15, 2026

fix(pt_expt): keep the graph-lower routing bool out of traced forwards; CI fixes
Han Wang
committed
95b3dee
Merge master into feat-graph-dpa2 (integrate #5758 dpa1 graph CUDA rework)
Han Wang
committed
44ebdda
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
990053c
fix(dpmodel,pt_expt): gate nonzero-mean dpa2 off the graph default; dpa2-aware torch<2.6 guard
Han Wang
committed
41bbd49
style(pt_expt): explicit device on the graph_lower_disabled buffer init
Han Wang
committed
bc90a20
docs: use the LAMMPS-native 'ghost' terminology for the extended region
Han Wang
committed
d33ad3b
fix(dpmodel,cc): strictly positive phantom floor; device-edge flat aparam; effective-layer pair capability
Han Wang
committed
8248d4d
hardening(cc): assert the flat graph-route aparam contract at the runner boundary
Han Wang
committed
643bb15
hardening: assert three latent invariants surfaced by the merge audit
Han Wang
committed
486b146
fix(pt_expt): fold extended_virial in the compiled translate; document per-task hatch granularity
Han Wang
committed
3006793
fix(dpmodel): gate the phantom denominator floor to the negative-count regime
Han Wang
committed
5219119
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
1a01380

Commits on Jul 16, 2026

fix(pt_expt): scope the Triton exclude_types veto to the graph dispatch
Han Wang
committed
017f861
fix(dpmodel): soft slot-occupancy phantom denominator (positive AND cutoff-continuous)
Han Wang
committed
8011829
Merge branch 'feat-graph-dpa2' of github.com:wanghan-iapcm/deepmd-kit into feat-graph-dpa2
Han Wang
committed
7e11d63
fix(dpmodel): make _slot_occupancy export-safe on the unbacked pair axis
Han Wang
committed
206810e
chore(tests): resolve CodeQL findings (import style, keepalive del)
Han Wang
committed
04ad574
fix(dpmodel): keep gradients off the water-filling cumsum (inductor unbacked_bindings)
Han Wang
committed
8a1ac1f
test(pt_expt): move graph with-comm export tests next to the dense twin
Han Wang
committed
9ed7caf
fix(dpmodel): C1 slot-occupancy denominator (no force kink at the below-phantom surface)
Han Wang
committed
dfd49ef
fix(dpmodel): log-space chi -- no division by a subnormal ph_e in the tail
Han Wang
committed
002713d
Merge upstream/master into feat-graph-dpa2
Han Wang
committed
96604dd
fix(dpmodel): float64 cut selection in the water-filling; correct the positivity proof
Han Wang
committed
ad6e39f

Commits on Jul 18, 2026

Merge branch 'master' into feat-graph-dpa2
OutisLi
authored
652ace4
fix: address CodeRabbit round-3 findings (MPI fence placement, LSAN stale fixtures, accessor guard, ABI docs)
Han Wang
committed
48ae340
Merge branch 'feat-graph-dpa2' of github.com:wanghan-iapcm/deepmd-kit into feat-graph-dpa2
Han Wang
committed
13b098b
refactor(dpmodel): extract DPA4 flat edge-native core from call_with_edges
Han Wang
committed
3ae87a8
refactor(dpmodel): descriptor-owned graph type-embedding table at the atomic-model seam
Han Wang
committed
95f2375
feat(dpmodel): DPA4 graph-native forward (call_graph) and graph-lower capability flags
Han Wang
committed
288cddf
test(dpmodel): use message-sensitive DPA4 fixture in call_graph parity tests
Han Wang
committed
adf4027
test(dpmodel): pin dpa4_ener fitting on the flat-N graph seam
Han Wang
committed
d0d8883
feat(pt_expt): route DPA4 through the NeighborGraph lower with a persisted disable knob
Han Wang
committed
502b794
fix(dpmodel): DPA4 declares no cross-rank exchange; multi-rank now fails fast instead of dead-comm
Han Wang
committed
12fe36c
test(dpmodel): golden pin of DPA4 dense call outputs (Task 7 Step 1.5)
Han Wang
committed
2ac2ba5
refactor(dpmodel): DPA4 dense call is a NeighborGraph adapter; one graph-native math owner
Han Wang
committed
63f6f2f
refactor(dpmodel): delete the retired DPA4 padded dense builder; repoint padded parity tests at the surviving seam
Han Wang
committed
de0b2e9
feat(pt_expt): DPA4 graph .pt2 export (auto lower kind resolves to graph)
Han Wang
committed
34fe1cc
test(pt_expt): de-vacuate DPA4 AOTI freeze parity via jittered weights
Han Wang
committed
8174ee6
test(infer,cc,lmp): DPA4 graph .pt2 inference fixtures, C++ row, LAMMPS single-rank
Han Wang
committed
5c85599
refactor(dpmodel): remove the DPA4 loose-edge-list API in favor of NeighborGraph
Han Wang
committed
bc9e215
chore(pt_expt,cc): deprecate the legacy edge_vec .pt2 lower schema loaders
Han Wang
committed
9086af9
docs(dpa4): document graph-native inference route and correct multi-rank status
Han Wang
committed
fd76e45
docs(dpa4): final-review fix batch — stale docstrings, dead param, error-site wording
Han Wang
committed
9b22217

Commits on Jul 19, 2026

test(pt_expt): move DPA4 export-test artifact inputs to the compile device
Han Wang
committed
b6c3c37
test(pt_expt): keep the DPA4 dense-branch eager reference on CPU
Han Wang
committed
33cf0a4
test(dpa4): promote jitter_zero_arrays to a shared fixture module
Han Wang
committed
0c956cf
test(pt_expt): pin do_atomic_virial=False filtering on the DPA4 graph lower
Han Wang
committed
7a270d1
refactor(pt_expt): route the canonical-graph tebd table via the descriptor hook
Han Wang
committed
c15a255
refactor(dpmodel): DPA4 graph trunk threads comm_dict; dense adapter owns the rejection
Han Wang
committed
a9bad15
fix(dpmodel): dense comm rejection fires before the graph build
Han Wang
committed
cb77639
feat(pt_expt): border_op ghost exchange for the DPA4 graph route
Han Wang
committed
489bdb0
test(pt_expt): pin the DPA4 exchange spin-comm rejection
Han Wang
committed
e1ba8bf
feat(pt_expt): DPA4 declares graph-route cross-rank exchange; with-comm artifact gate is lower-kind-aware
Han Wang
committed
e99709a
test(pt_expt): DPA4 graph .pt2 embeds the with-comm sidecar; nlist stays single-artifact
Han Wang
committed
bd17eba
docs(test): correct test_dpa4_freeze_to_pt2 docstring to the kind-conditional artifact layout
Han Wang
committed
c3ed314
test(lmp): DPA4 graph multi-rank MPI tests (MP==SP gate + empty-rank bound)
Han Wang
committed
566050d
docs(dpa4): multi-rank supported on the graph .pt2 via the with-comm artifact
Han Wang
committed
21bffe9
docs(plan): DPA4 native spin on the NeighborGraph route
Han Wang
committed
3d802dd

Commits on Jul 20, 2026

feat(dpmodel): thread native spin through the DPA4 graph lower chain
Han Wang
committed
d94a1cf
refactor(dpmodel): explicit supports_native_spin capability method
Han Wang
committed
dc312c9
feat(dpmodel): DPA4NativeSpinModel on the NeighborGraph route
Han Wang
committed
cc07c4a
fix(dpmodel): DPA4NativeSpinModel translated_output_def + builder-guard tests
Han Wang
committed
f9bc474
feat(pt_expt): force_mag autograd on the DPA4 graph lower
Han Wang
committed
143a725
docs(pt_expt): correct pt joint-grad citation line number
Han Wang
committed
cb5eeb6
feat(pt_expt): DPA4NativeSpinModel wrapper with graph-route force_mag
Han Wang
committed
d13a85c
fix(pt_expt): restore Spin DPA4 rejection message + cover native-spin builder guards
Han Wang
committed
0316072
feat(pt_expt): graph-spin .pt2 exportable ABI (spin at index 10)
Han Wang
committed
afa68a1
fix(pt_expt): keep the energy graph exportable spin-free (conditional spin arity)
Han Wang
committed
5f23c00
feat(pt_expt): graph-kind .pt2 freeze for native-spin DPA4 (no with-comm)
Han Wang
committed
78a5a01
feat(pt_expt): DeepEval graph fast path for native-spin .pt2
Han Wang
committed
8a30fb1
test(infer): native-spin DPA4 graph .pt2 fixture generator
Han Wang
committed
7ab9d09
test(infer): build native-spin fixture from inline config+seed, drop committed weights yaml
Han Wang
committed
88a81e3
feat(cc): DeepSpinPTExpt NeighborGraph route for native-spin graph .pt2
Han Wang
committed
9fb7485
test(lmp): single-rank LAMMPS deepspin on the DPA4 graph .pt2
Han Wang
committed
f731a19
feat(pt_expt): native-spin DPA4 training smoke + docs + fixture-regen comment
Han Wang
committed
3047dc9
test(dpmodel): pin the ener_spin flat-label reshape numerically
Han Wang
committed
2a3c0f9
chore: stop tracking docs/superpowers working plans
Han Wang
committed
cf103d6
docs: correct DeepSpinPTExpt guard location in comments (compute, not compute_inner)
Han Wang
committed
6f039ab
Merge upstream/master (dpa2 graph #5779) into feat-graph-dpa4
Han Wang
committed
dcc1a5b
feat(dpa4): wire charge-spin FiLM + SFPG bridging onto the graph route
Han Wang
committed
3d0e7ba
test(pt_expt): device-conditional tolerance for the spin-less determinism check (CUDA index_add atomics)
Han Wang
committed
8db86c1
test(lmp): source native-spin LAMMPS references from the regenerated .expected sidecar (was stale hardcoded)
Han Wang
committed
5994a5c
test(lmp): load build-test custom op lib in the native-spin reference subprocess
Han Wang
committed
ebfc72a
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
9501dcb

Commits on Jul 21, 2026

refactor(dpa4): merge _call_graph_common into _run_graph; clarify exclusion ownership
Han Wang
committed
0ee0a4f
fix(tf2): unpack the 7-tuple _input_type_cast (spin slot) at all tf2 call sites
Han Wang
committed
f0a3d2b
test(dpa4): make the charge_spin routing spy version-stable
Han Wang
committed
8ae3e5d
test(dpa4): fix CodeQL py/modification-of-default-value in jitter_zero_arrays
Han Wang
committed
4dea3f2
test(dpa4): make jitter_zero_arrays pure to clear CodeQL py/modification-of-default-value
Han Wang
committed
144f245
chore(dpa4): clear CodeQL notes/warning (cyclic-import, unnecessary-delete, import-and-import-from)
Han Wang
committed
26593a1
test(tf2): update FakeDPModel._input_type_cast mock to the 7-tuple signature
Han Wang
committed
84f0bf8

Commits on Jul 22, 2026

docs(dpa4): close an unbalanced inline literal in translated_output_def docstring
Han Wang
committed
d445425

Commits on Jul 23, 2026

refactor(dpmodel): declare supports_native_spin/supports_charge_spin on BaseDescriptor
Han Wang
committed
2027976
docs(dpmodel): keep BaseDescriptor spin-capability docstrings descriptor-agnostic
Han Wang
committed
91c7684
refactor(dpmodel,pt_expt): declare the graph-lower capability cluster on BaseDescriptor
Han Wang
committed
e8d1b8a
refactor(dpmodel,pt_expt,jax): declare has_spin on the base model; drop dead-defensive capability probes
Han Wang
committed
4d1138d
fix(dpa4): restore pt training-time random_gamma semantics on the shared trunk
Han Wang
committed
3c108c4
fix(dpmodel,pt_expt): normalize use_spin forms and forward allow_missing_label in the native-spin builders
Han Wang
committed
73a851f
refactor(pd): drop the has_spin getattr dances for direct base-model calls
Han Wang
committed
efb6fb9
refactor(dpmodel): make_native_spin_model class factory + registered NativeSpinEnergyModel
Han Wang
committed
24abf3c
refactor(pt_expt): NativeSpinEnergyModel via make_native_spin_model; registry dispatch replaces native-spin seams
Han Wang
committed
71239f9
test(pt_expt): pin the public-BaseModel native-spin round trip
Han Wang
committed
b037154
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
91d4837
feat(dpmodel): native spin combined with charge-spin FiLM (review 3638047227, task 1)
Han Wang
committed
c4ddea3
feat(pt_expt): combined native spin + charge-spin FiLM eager path (review 3638047227, task 2)
Han Wang
committed
57a008e
feat(pt_expt): charge_spin slot in the graph-spin .pt2 ABI (review 3638047227, task 3)
Han Wang
committed
9cf9f36
feat(infer,cc): feed the graph-spin charge_spin slot in DeepEval and C++ (review 3638047227, task 4)
Han Wang
committed
d1dac26
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
349ad3b

Commits on Jul 24, 2026

feat(dpmodel): backend-agnostic InterPotential (analytical ZBL bridging term)
Han Wang
committed
0c388be
feat(dpmodel): inject the ZBL bridging term at the atomic layer (review 3638077323, task 2)
Han Wang
committed
3251411
feat(pt_expt): ZBL bridging eager path + ownership on DPAtomicModel (review 3638077323, task 3)
Han Wang
committed
412cc21
feat(pt_expt): ZBL bridging export/training e2e + argcheck (review 3638077323, task 4)
Han Wang
committed
69a2697
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
f51ca5e
refactor(dpmodel,pt_expt): ZBL bridging as atomic-model COMPOSITION (review 3638077323, redesign)
Han Wang
committed
6a2e9de
refactor(dpmodel,pt_expt): address review batch on the bridging composition
Han Wang
committed
eccc7c3
refactor(dpmodel,pt_expt): DPA4EnergyModel owns the dpa4-family wire types and pt-checkpoint interop (review items 9+10)
Han Wang
committed
e8ecfd4
test(pt_expt): repoint the pt-checkpoint interop tests at DPA4EnergyModel
Han Wang
committed
1fcdeeb
test(pt_expt): training fakes implement the pinned has_spin interface (review 3644445970)
Han Wang
committed
e23f5f7
fix(pt_expt): resolve native-spin freeze to the graph lower at the public freeze layer (review 3638183251)
Han Wang
committed
35dd228
fix(pt_expt): synthesize the real mask_mag in graph-native-spin DeepEval (review 3644497941)
Han Wang
committed
2ff9f25
test(pt_expt): exercise the native-spin capability gate with a standard config (review 3644811385)
Han Wang
committed
62a2bff
fix(dpmodel,pt_expt): narrow the native-spin TypeError translation (review 3644847676)
Han Wang
committed
27678e6
Merge branch 'master' of https://github.com/deepmodeling/deepmd-kit into feat-graph-dpa4
Han Wang
committed
0b31256
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
ea00029
test(pt_expt): make the tf32 warn-once test immune to global logging state
Han Wang
committed
bfa0c4c
refactor(pt_expt): the native-spin model owns mask_mag; DeepEval reads it
Han Wang
committed
0965e29
refactor(native-spin): dedup pt_expt forward against dpmodel's call
Han Wang
committed
06ba579
refactor(native-spin): one translation owner for eager and graph paths
Han Wang
committed
3a13be0
fix(dpmodel): linear model is graph-capable iff ALL children are
Han Wang
committed
9f2e811

Commits on Jul 25, 2026

fix(ci): keep the linear wire type shared, count tf32 warns at the source
Han Wang
committed
acd68f8
fix(api_cc): apply model-level pair exclusion when building the spin graph
Han Wang
committed
ecfb7a8
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
fd6fa77
fix: refresh the ZBL lookup on change_type_map; allow native spin + bridging
Han Wang
committed
e48b6e2
refactor: the atomic model answers supports_native_spin, not a descriptor hunt
Han Wang
committed
2f4e63d
refactor(dpmodel): query supports_native_spin through the interface
Han Wang
committed
cadd737
feat(pt_expt): native spin supports multi-rank on the graph lower
Han Wang
committed
804cc57
fix: composition forwards charge_spin capabilities; real multi-rank spin test
Han Wang
committed
5f837d5
test(zbl): first C++ coverage for DPA4 + analytical ZBL bridging
Han Wang
committed
648b3db
fix(test): include DeepPotPTExpt.h so the ZBL C++ suite actually runs
Han Wang
committed
459e0ff
test(zbl): magnitude-scaled fp32 bound for the ZBL C++ comparison
Han Wang
committed
2824e14
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
f7d3067
fix(api_cc): extended-region output remap for multi-rank graph spin
Han Wang
committed
0123bcb
fix(api_cc): keep graph edges extended for multi-rank native-spin
Han Wang
committed
1d560a1
refactor(pt_expt): drop the duplicated graph-eligibility guard
Han Wang
committed
18b7459
fix(dpmodel): draw the DPA4 random-gamma roll with the backend's RNG
Han Wang
committed
1e80e0b
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
0a77df3
fix(dpa4): pair exclusion must reach the ZBL composition
Han Wang
committed
749fd49
fix(pt_expt): freeze a graph-capable model through the graph lower
Han Wang
committed
881e208
feat(api): runtime charge_spin for the DeepSpin inference path
Han Wang
committed
ee1026e
feat(api): charge_spin through DeepSpinModelDevi
Han Wang
committed
c3f61a7
test(spin): functional coverage for runtime charge_spin
Han Wang
committed
fb1f8d6
fix(api_cc): give DeepSpinPTExpt the safety machinery DeepPot has
Han Wang
committed
5f67515
test(dpa4): cover native-spin+ZBL below Python, and ZBL under LAMMPS
Han Wang
committed
7537e6a

Commits on Jul 26, 2026

fix(dpa4): atom exclusion and stat capabilities must reach the composition
Han Wang
committed
d7287ef
style: trim the exclusion and capability comments
Han Wang
committed
963b284
fix(dpmodel): reject an intensive/extensive composition at construction
Han Wang
committed
206102d
test: complete the linear-model test double
Han Wang
committed
0053e27
fix(dpmodel): a composition default requires agreement among active children
Han Wang
committed
f937b89
fix(pt_expt): warn when a requested lower_kind is overridden
Han Wang
committed
c40f018
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot]
committed
126eec8
docs(cli): --lower-kind no longer advertises a dense default
Han Wang
committed
436c46e
test: drop the dual-import pattern CodeQL flagged
Han Wang
committed
c20b4ca
fix(dpmodel): composition consumers must agree on fparam/aparam dimension
Han Wang
committed
89a3f65
refactor(dpmodel): restore the PT-aligned method order in dpa4
Han Wang
committed
37f1ce0
docs(dpa4): correct the freeze and multi-rank capability matrix
Han Wang
committed
aa10829
test(zbl): restore through the pt_expt class so the roundtrip runs on CUDA
Han Wang
committed
b4afa3c
test(spin): the native-spin graph .pt2 must carry the with-comm artifact
Han Wang
committed
5385950