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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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Add barebones test for `cuda_devices_sorted_by_free_mem` #53

Closed janosh closed 1 year ago

janosh commented 1 year ago

Refactored and renamed from get_sorted_cuda_devices.

Also add pandas to optional deps 'examples'.

codacy-production[bot] commented 1 year ago

Coverage summary from Codacy

Merging #53 (465ff43dca7d5b336f82f2063d1a9e6e8c5e7ef5) into main (ac6f81c13de0f579f2256ddb6ee2dd1318dd91c8) - See PR on Codacy

Coverage variation Diff coverage
Report missing for ac6f81c13de0f579f2256ddb6ee2dd1318dd91c8[^1] 75.00%
Coverage variation details | | Coverable lines | Covered lines | Coverage | | ------------- | ------------- | ------------- | ------------- | | Common ancestor commit (ac6f81c13de0f579f2256ddb6ee2dd1318dd91c8) | Report Missing | Report Missing | Report Missing | | | Head commit (465ff43dca7d5b336f82f2063d1a9e6e8c5e7ef5) | 1169 | 887 | 75.88% | **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 (#53) | 4 | 3 | **75.00%** | **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.