Update ACE force descriptor output #52
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Codecov ReportAll modified and coverable lines are covered by tests ✅
❗ Your organization needs to install the Codecov GitHub app to enable full functionality. Additional details and impacted files@@ Coverage Diff @@
## main #52 +/- ##
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+ Coverage 59.13% 61.25% +2.11%
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Files 32 32
Lines 1669 1675 +6
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+ Hits 987 1026 +39
+ Misses 682 649 -33 ☔ View full report in Codecov by Sentry. |
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It looks good!. Also, I run the tests and examples of the new versions of IP.jl and PL.jl on my computer, including the examples in the ace-experiments branch. Everything works with the exception of one missing dataset, "./data/TiAl_examples.xyz", in a test in PL.jl PR. |
emmanuellujan
approved these changes
Jan 27, 2024
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Also added and modified some tests for ACE potential. Additionally, a warning has been added to the README.md about using SNAP