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Timestamping LAMMPS temporary files #518

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merged 5 commits into from
May 31, 2024
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This PR adds a timestamp functionality to the creation of all temporary files for LAMMPS based descriptor calculations. This solves the issue documented in #502.
Also implements automatic cleanup of temporary files by default (may be disabled by user if temporary files are needed for, e.g., debugging).

@RandomDefaultUser RandomDefaultUser marked this pull request as ready for review May 30, 2024 15:33
@timcallow
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LGTM!

@RandomDefaultUser RandomDefaultUser merged commit 035dd2a into develop May 31, 2024
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@RandomDefaultUser RandomDefaultUser deleted the multiple_lammps_runs branch May 31, 2024 07:45
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2 participants