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CederGroupHub / chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
https://doi.org/10.1038/s42256-023-00716-3
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(Un-)directedEdge tests #65

Closed janosh closed 12 months ago

janosh commented 1 year ago

865e288 CrystalGraphConverter give n_isolated_atoms in err msg 03e1c09 fix expected msg in test_crystal_graph_converter_forward 697c307 match UserWarning in test_crystal_graph_converter_warns 218b85c use conventional python repr for (Un-)directedEdge 84f658c add tests for (Un-)directedEdge

codacy-production[bot] commented 1 year ago

Coverage summary from Codacy

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Coverage variation Diff coverage
Report missing for a96d37a0dddcdd4ee38150aed4d09b7bbd886194[^1] 100.00%
Coverage variation details | | Coverable lines | Covered lines | Coverage | | ------------- | ------------- | ------------- | ------------- | | Common ancestor commit (a96d37a0dddcdd4ee38150aed4d09b7bbd886194) | Report Missing | Report Missing | Report Missing | | | Head commit (84f658c0bc99cf337ab68fa426380247d6ec9d99) | 1209 | 922 | 76.26% | **Coverage variation** is the difference between the coverage for the head and common ancestor commits of the pull request branch: ` - `
Diff coverage details | | Coverable lines | Covered lines | Diff coverage | | ------------- | ------------- | ------------- | ------------- | | Pull request (#65) | 11 | 11 | **100.00%** | **Diff coverage** is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: `/ * 100%`

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[^1]: Codacy didn't receive coverage data for the commit, or there was an error processing the received data. Check your integration for errors and validate that your coverage setup is correct.