Migrate LOBSTER schemas from atomate2 #1296
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## develop #1296 +/- ##
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- Coverage 85.96% 85.32% -0.65%
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Files 229 230 +1
Lines 17888 18234 +346
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+ Hits 15378 15558 +180
- Misses 2510 2676 +166 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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Had previously started this without opening a PR - resuming the migration here to allow for edits from @naik-aakash and @JaGeo as needed for a related crystal toolkit PR
Migrates + updates the schemas used in atomate2 for LOBSTER calcs. Removes ijson dependence in favor of JSON lines files + orjson. Should probably be parquet in the long run to make it more efficient