Optimizing process labels #861
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from `relax: none` to `unrelaxed`
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## main #861 +/- ##
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Coverage 67.53% 67.53%
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Files 50 50
Lines 4620 4620
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Hits 3120 3120
Misses 1500 1500
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This fixes #858
The main change is the label for unrelaxed. From
relax: nonetounrelaxed.Examples of process labels:
No relax, magnetic:
relax:
No properties except vc-relax:
As you can see from above, the structure formula is used by default for the labels. However, if the users attach a specific label to the structure in step 1, this is used instead. For example, here we attach the LABEL string:
Pinning @giovannipizzi and @cpignedoli for some feedback on this, thanks!