Rotate results directories #647
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oerc0122
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Dec 11, 2025
oerc0122
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Dec 11, 2025
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I still have a gut feeling the logic could be simpler, but with a numeric sort this should do the job nicely.
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| # If no restarts found, check potential last results directory | ||
| if not poss_restarts: | ||
| results_dirs = sorted(restart_stem.parent.parent.glob("janus_results*")) |
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This is lexicographic, not numeric sort.
oerc0122
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Dec 11, 2025
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Resolves #472
Creates new results directories if one ore more already exist.
This is implemented similarly to dlpoly-py, with a few small changes, but functionally I think it works more or less in the same way.
The scheme implemented is
janus_results->janus_results_1->janus_results_2, etc. and will ignore output directories formatted differently e.g.janus_results1would not be considered.As far as I can tell, the only place in the code that this impacts is our MD restart, so we now search for the potential last results directory to get the relevant restart file.