Fix/dynamics hooks and order - #182

Draft

ys-teh wants to merge 26 commits into

NVIDIA:mainfrom

ys-teh:fix/dynamics_hooks_and_order

Commits on Aug 25, 2026

add active_graph_mask to dynamics
ys-teh
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3e77eee
add active_graph_mask to domain parallel
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6b9a7cc
add active_graph_mask to mutating hooks
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588a019
add force priming to BaseDynamics
ys-teh
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c3a58ae
add AFTER_PRE_UPDATE to FusedStage
ys-teh
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5d61be0
fix freeze atoms logic
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2f65477

Commits on Aug 26, 2026

add active_graph_mask to non-mutating hooks
ys-teh
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4cdee75
add validation on n_steps to address greptile comment
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a76aaa2
revert redundant addition to docstring
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05cfb7a

Commits on Aug 27, 2026

add jaxtyping shape annotations
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4afabe5
update cell align hook
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6891fd2
standardize force priming and n steps validation
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021aa6d
update force priming location
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eaac46a

Commits on Aug 28, 2026

update test to accommodate force priming
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9f5fc68

Commits on Sep 1, 2026

fix force priming issues in FusedStage
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2de2e76
deprecate FusedStage.fused_hooks
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46afedf
update dynamics hook order and add ON_ADMISSION
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5c66f6b
update documentation on ON_ADMISSION stage
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1894dbb
update change log
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589b65e
update docs
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8481aaf
fix state management for fused stage
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04de7a0

Commits on Sep 2, 2026

update change log
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8f6532c
update skill
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2ae0bb6

Commits on Sep 8, 2026

Merge branch 'main' into fix/dynamics_hooks_and_order
ys-teh
authored
1a7c7b0

Commits on Sep 9, 2026

add on admission in domain parallel
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f75d7b1
remove grad from neighbor list
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ff2576d