usnistgov / alignn

Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en
https://jarvis.nist.gov/jalignn/
Other
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Develop #126

Closed knc6 closed 1 year ago

codecov-commenter commented 1 year ago

Codecov Report

Patch coverage: 81.96% and project coverage change: +0.26 :tada:

Comparison is base (3e4943a) 75.84% compared to head (21e452c) 76.10%.

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #126 +/- ## ========================================== + Coverage 75.84% 76.10% +0.26% ========================================== Files 23 23 Lines 3560 3604 +44 ========================================== + Hits 2700 2743 +43 - Misses 860 861 +1 ``` | [Impacted Files](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None) | Coverage Δ | | |---|---|---| | [alignn/pretrained.py](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None#diff-YWxpZ25uL3ByZXRyYWluZWQucHk=) | `82.14% <ø> (ø)` | | | [alignn/tests/test\_alignn\_ff.py](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None#diff-YWxpZ25uL3Rlc3RzL3Rlc3RfYWxpZ25uX2ZmLnB5) | `100.00% <ø> (ø)` | | | [alignn/ff/ff.py](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None#diff-YWxpZ25uL2ZmL2ZmLnB5) | `41.88% <81.03%> (+3.73%)` | :arrow_up: | | [alignn/\_\_init\_\_.py](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None#diff-YWxpZ25uL19faW5pdF9fLnB5) | `100.00% <100.00%> (ø)` | | | [alignn/data.py](https://app.codecov.io/gh/usnistgov/alignn/pull/126?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None#diff-YWxpZ25uL2RhdGEucHk=) | `64.70% <100.00%> (-0.35%)` | :arrow_down: | ... and [1 file with indirect coverage changes](https://app.codecov.io/gh/usnistgov/alignn/pull/126/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=None)

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