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Batched pairfunction cleanup #488

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Merged
CompRhys merged 19 commits into from
Mar 5, 2026
Merged

Batched pairfunction cleanup #488

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9d1fef0
fea: implement general pair-style models
CompRhys Mar 2, 2026
77d5aa4
fix: sign error impacted soft-sphere stress predictions
CompRhys Mar 2, 2026
006bde9
fix: bad merge left pbc_to_tensor
CompRhys Mar 2, 2026
50ae7d2
Merge remote-tracking branch 'origin/main' into batched-pairfunction
CompRhys Mar 2, 2026
39a4007
clean: remove older implementations
CompRhys Mar 3, 2026
2f46915
check diff sim tutorial can work on native models and classes. improv…
CompRhys Mar 3, 2026
e617c65
lint
CompRhys Mar 3, 2026
605d6de
Merge remote-tracking branch 'origin/main' into batched-pairfunction-…
CompRhys Mar 3, 2026
7e7e21d
fix: detach results
CompRhys Mar 3, 2026
a2447f1
Merge remote-tracking branch 'origin/main' into batched-pairfunction-…
CompRhys Mar 3, 2026
88d507d
avoid inplace ops
CompRhys Mar 3, 2026
dd5ad41
Merge remote-tracking branch 'origin/main' into batched-pairfunction-…
CompRhys Mar 4, 2026
857d517
fix: stress bug vs ase. update hoover test hard coded values
CompRhys Mar 4, 2026
a2c74ad
Merge remote-tracking branch 'origin/main' into batched-pairfunction-…
CompRhys Mar 5, 2026
dc40a7b
update treemap for cleanup
CompRhys Mar 5, 2026
a31a148
fix: test_optimizer_batch_consistency used different dt_max.
CompRhys Mar 5, 2026
d1d672f
fix: use supercell to make test more robust, use weibull dist for noi…
CompRhys Mar 5, 2026
bd9955d
Merge remote-tracking branch 'origin/main' into batched-pairfunction-…
CompRhys Mar 5, 2026
26c63dd
doc: add more docs and Model tests for each of the pre-defined classi…
CompRhys Mar 5, 2026
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3 changes: 3 additions & 0 deletions .gitignore
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Original file line number Diff line number Diff line change
Expand Up @@ -46,3 +46,6 @@ uv.lock

# agents
.agents/

# treemap html file
docs/_static/torch-sim-pkg-treemap.html
2 changes: 1 addition & 1 deletion docs/_static/torch-sim-pkg-treemap.svg
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