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February 10, 2026 08:14
orionarcher
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LGTM! Might be nice to include some common/useful kwarg options in the dict for those unfamiliar with pbar.
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Summary
Currently,
ts.integrateonly shows a progress bar when autobatching is enabled, and the progress bar is over the systems completed in the batch. This PR also adds a progress bar to the "inner" MD integration, which I find to be useful especially for longer-running MD. The default is to setleave=False, i.e., the inner progress bar disappears after it is complete, which avoids clogging the log for large batches where we have many inner MD loops.Checklist
Before a pull request can be merged, the following items must be checked: