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fix issue 59 | samples_from_md should only be used for MDs #60

Merged
merged 1 commit into from
Apr 24, 2024
Merged

fix issue 59 | samples_from_md should only be used for MDs #60

merged 1 commit into from
Apr 24, 2024

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flokno
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@flokno flokno commented Apr 23, 2024

Graceful exit samples_from_md when input files lack velocities

Closes #59

@flokno
fix issue 59 | samples_from_md should only be used for MDs
be4a99b 
* require infile.sim.hdf5 with velocities
* fail when number of requested samples is larger than number of samples
@flokno flokno mentioned this pull request Apr 23, 2024
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@flokno flokno merged commit b78bbd2 into tdep-developers:main Apr 24, 2024
@flokno flokno deleted the fix_issue_59 branch April 24, 2024 12:45
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[ERROR] Segfault when using sample_from_md
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