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Merged
merged 25 commits into from
Mar 16, 2025
Merged

Broad runner, io, state reorganization #52

merged 25 commits into from
Mar 16, 2025

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@orionarcher
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@orionarcher orionarcher commented Mar 16, 2025

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@orionarcher
rename max_attempts > max_iterations
c99a844
@orionarcher
rename runners -> io
9c82b39
@orionarcher
move integrate and optimize and supporting functions to runners, test…
3590a89 
…s too
@orionarcher
add to_atoms, to_structures, to_phonopy, split to BaseState
3332de6 
move initialize_state to state.py
@orionarcher
update slice_substate to take in batched indices
0c5b24d
@orionarcher
Refactor pop, slice, and split functions
bf6fa2d
@orionarcher
add split, pop, and slicing syntax to state
967efe9
@orionarcher
replace pop_state, slice_state, and split_state with their built in m…
7563e98 
…ethods across the codebase
@orionarcher
lint and refactor initialize_state import logic into a cleaner loop
df3719f
@orionarcher
fix misimported initialize momenta
2614c9b
@orionarcher
change device to cpu in conftest
2aff328
@orionarcher
lint
b0a3ad0
@orionarcher
allow model as non-kwarg. correctly place integrator and optimizer kw…
bdd5357 
…args to init_fn in runners
@orionarcher
fix import in a2c
761c2e2
@orionarcher
lint
35974c2
@orionarcher
delete batching and tools, move tools logic to transforms and integra…
72d5402 
…tors
@orionarcher
move math to root level
08451ae
@orionarcher
move a2c to workflows
1326657
@orionarcher
lint
007f8f2
@orionarcher
pull model import up a level
0136ef2
@orionarcher
lint
236f195
@orionarcher
fix imports in model init
3528f59
@orionarcher
remove morse model from init because there is no batched v
e87435b
@orionarcher
fix init
df7d985
@orionarcher
actually remove morse
83e67ba
@orionarcher orionarcher mentioned this pull request Mar 16, 2025
Closed
@abhijeetgangan abhijeetgangan merged commit df4a26e into main Mar 16, 2025
46 checks passed
@abhijeetgangan abhijeetgangan deleted the broad_runner_io_state_reorganization branch March 16, 2025 02:45
@janosh janosh mentioned this pull request May 14, 2025
Merged
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3 participants

@orionarcher @abhijeetgangan