pt: process frames in parallel for env mat stat#3293
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wanghan-iapcm merged 2 commits intodeepmodeling:develfrom Feb 19, 2024
Merged
pt: process frames in parallel for env mat stat#3293wanghan-iapcm merged 2 commits intodeepmodeling:develfrom
wanghan-iapcm merged 2 commits intodeepmodeling:develfrom
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Resolves deepmodeling#3285 (comment) Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3293 +/- ##
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- Coverage 74.93% 74.92% -0.01%
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Files 391 391
Lines 33661 33650 -11
Branches 1604 1604
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- Hits 25224 25213 -11
Misses 7576 7576
Partials 861 861 ☔ View full report in Codecov by Sentry. |
wanghan-iapcm
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iProzd
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Resolves #3285 (comment).
We don't even need to consider whether the data uses mixed type in this piece of code. The data can be reshaped to the atom level, and type masks can be used to get an environmental matrix with certain types. No frame-level things are involved here.