Dropping TRZ reading forces and changing DL_Poly units #4983
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #4983 +/- ##
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- Coverage 93.42% 93.41% -0.02%
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Files 177 189 +12
Lines 21859 22925 +1066
Branches 3078 3078
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+ Hits 20422 21415 +993
- Misses 986 1059 +73
Partials 451 451 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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Based on feedback about TRZ being dropped, I removed the parts regarding TRZ in the latest commit. |
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Fixes #2393
Changes made in this Pull Request:
As mentioned in #2393, this likely requires more work with test cases and code modifications regarding where the DL_Poly conversions are made, so any feedback is appreciated!
PR Checklist
package/CHANGELOGfile updated?package/AUTHORS? (If it is not, add it!)Developers Certificate of Origin
I certify that I can submit this code contribution as described in the Developer Certificate of Origin, under the MDAnalysis LICENSE.
📚 Documentation preview 📚: https://mdanalysis--4983.org.readthedocs.build/en/4983/