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b9c4d4a
ignore pycharm
miketynes Feb 6, 2026
a95f078
WIP: rewrite DynamicsRunner to be 1 per trajectory
miketynes Feb 6, 2026
5f71149
rm unused callback
miketynes Feb 10, 2026
7e46419
WIP: add event, lock to dynamics runner
miketynes Feb 10, 2026
ee55118
WIP: test dynamics runner
miketynes Feb 11, 2026
25eeb5c
have dynamicsrunner shut itself down
miketynes Feb 11, 2026
3099df1
add logging to test, waiting on dynamicsrunner
miketynes Feb 11, 2026
e2725d7
WIP: remove callbacks, configs
miketynes Feb 16, 2026
95b66be
wip: remove remaining configs, move db init to startup
miketynes Feb 16, 2026
d5078eb
implementation with multiple dynamics runner executing
miketynes Feb 24, 2026
95b0e00
only one process for dynamicsrunner
miketynes Feb 24, 2026
6a54a7f
fix chunk_size bug
miketynes Feb 24, 2026
d141dc8
run and postprocessing changes
miketynes Mar 10, 2026
b7ab380
one worker pool for dynamics agents; add logging
miketynes Mar 10, 2026
db2d060
pass atoms over exchange
miketynes Mar 11, 2026
0c11030
use ParslPoolExecutor
miketynes Mar 12, 2026
988d3e7
touching the root logger considered harmful
miketynes Mar 13, 2026
6c1bbac
big run
miketynes Mar 23, 2026
8c5710e
clean up nb
miketynes Mar 23, 2026
4b0c46a
cleanup imports, remove unused writes
miketynes Mar 23, 2026
6b4e21d
cleanup imports, use academy logging for now
miketynes Mar 23, 2026
79d2132
add config back to dynamics runner
miketynes Mar 23, 2026
79a15d4
configs for databasemonitor
miketynes Mar 23, 2026
a2bc9af
config back in auditor
miketynes Mar 24, 2026
54192db
flake8
miketynes Mar 24, 2026
d00d50c
flake8
miketynes Mar 24, 2026
bfdca9b
add config back to sampler
miketynes Mar 24, 2026
58f0466
add config, executor to labeler
miketynes Mar 24, 2026
1ed6548
add config, executor to trainer
miketynes Mar 24, 2026
cc3d581
re-add chunk events for labeling. needed for retrain_check
miketynes Mar 24, 2026
1a0bf49
do everything in one parslpool
miketynes Mar 24, 2026
ba40f02
update proof of concept run
miketynes Mar 24, 2026
6a071db
wip: use asyncio.create_task, simplify calls, model
miketynes Mar 30, 2026
c4ae6e8
parsl cores_per_worker -> max_workers_per_node
miketynes Mar 30, 2026
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2 changes: 2 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -21,6 +21,8 @@ __pycache__/
*.py[cod]
*$py.class

# pycharm
**/*.idea/*
# C extensions
*.so

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3,525 changes: 518 additions & 3,007 deletions 3_cascade/1_sanity_check_run.ipynb

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