[HREMD] Truncate extra trajectory frames when loading checkpoint #32
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #32 +/- ##
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+ Coverage 95.57% 95.58% +0.01%
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Files 46 46
Lines 3093 3105 +12
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+ Hits 2956 2968 +12
Misses 137 137
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Description
This PR fixes a bug whereby extra trajectory frames may be present when loading from a checkpoint generated part way through a HREMD simulation. This would lead to a mismatch in the samples file and the trajectory, without an easy way to know which frames were saved after the checkpoint was saved.
Status