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choderalab / perses

Experiments with expanded ensembles to explore chemical space
http://perses.readthedocs.io
MIT License
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Realtime analysis interval to default to checkpoint interval #1227

Closed ijpulidos closed 10 months ago

ijpulidos commented 10 months ago

Description

Changes the default for the offline-freq input parameter to match checkpoint_interval.

Motivation and context

Resolves #1220

How has this been tested?

Tested locally with CLI. Input yaml file in examples adjusted for it.

Change log

Realtime analysis interval, ``offline-freq``, is now defaulting to ``checkpoint_interval`` when not specified in input parameter file.
mikemhenry commented 10 months ago

Thank you for this!

codecov[bot] commented 10 months ago

Codecov Report

Merging #1227 (d63680e) into 0.10.x (d77ab23) will not change coverage. The diff coverage is 50.00%.