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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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Fix `StructureData` inconsistent labels length error #69

Closed janosh closed 11 months ago

janosh commented 11 months ago

Addresses https://github.com/CederGroupHub/chgnet/commit/832c5e47f2e3cf47193419511a7110d6cd36c2f1#r127097780.

janosh commented 11 months ago

@BowenD-UCB Feel free to change back to ValueError. Had starting working on this before I saw https://github.com/CederGroupHub/chgnet/commit/80744977cedee8db46cbdb2416b87d1a5b60bec7.

codacy-production[bot] commented 11 months ago

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Coverage variation Diff coverage
Report missing for 80744977cedee8db46cbdb2416b87d1a5b60bec7[^1] ∅
Coverage variation details | | Coverable lines | Covered lines | Coverage | | ------------- | ------------- | ------------- | ------------- | | Common ancestor commit (80744977cedee8db46cbdb2416b87d1a5b60bec7) | Report Missing | Report Missing | Report Missing | | | Head commit (92304157c7acbb18ad874c7cc5fb4884743d88de) | 1245 | 944 | 75.82% | **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 (#69) | 0 | 0 | **∅ (not applicable)** | **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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