Open singraber opened 3 years ago
Merging #107 (9f320e1) into master (539576b) will increase coverage by
0.88%
. The diff coverage isn/a
.
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@@ Coverage Diff @@
## master #107 +/- ##
==========================================
+ Coverage 74.95% 75.83% +0.88%
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Files 103 121 +18
Lines 13985 16015 +2030
==========================================
+ Hits 10482 12145 +1663
- Misses 3503 3870 +367
Flag | Coverage Δ | |
---|---|---|
cpp | 75.92% <ø> (+0.91%) |
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python | 71.42% <ø> (-1.27%) |
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Impacted Files | Coverage Δ | |
---|---|---|
src/application/nnp-dataset.cpp | 95.98% <ø> (-0.07%) |
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src/application/nnp-norm.cpp | 97.83% <ø> (+0.17%) |
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src/application/nnp-norm2.cpp | 0.00% <ø> (ø) |
|
src/application/nnp-predict.cpp | 94.76% <ø> (+0.28%) |
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src/application/nnp-scaling.cpp | 96.42% <ø> (+0.04%) |
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src/application/nnp-train.cpp | 100.00% <ø> (+5.26%) |
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src/libnnp/Atom.cpp | 56.65% <ø> (+9.01%) |
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src/libnnp/CoreFunction.cpp | 79.66% <ø> (-16.64%) |
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src/libnnp/CoreFunction.h | 98.75% <ø> (-1.25%) |
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src/libnnp/Element.cpp | 81.85% <ø> (+2.44%) |
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... and 32 more |
... and 57 files with indirect coverage changes
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Implements the training for 4G-HDNNPs (https://arxiv.org/abs/2009.06484)