nvnmd-v1 with 31-type chemical species#2676
nvnmd-v1 with 31-type chemical species#2676wanghan-iapcm merged 59 commits intodeepmodeling:develfrom
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…ap input, check rang os switch function
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…to devel nvnmd mapt flt ntype
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Conflicting files "source/tests/test_nvnmd_se_a.py" and "source/tests/test_nvnmd_utils.py" have been removed. Because the same unit tests are included in "source/tests/test_nvnmd_entrypoints.py". |
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Is it possible to further reduce the size of the weight files weight_v?_cnn.npy for testing? E.g. using smaller models for tests.
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #2676 +/- ##
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+ Coverage 78.36% 78.92% +0.55%
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Files 235 236 +1
Lines 24506 25157 +651
Branches 1469 1477 +8
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+ Hits 19204 19855 +651
- Misses 4910 4912 +2
+ Partials 392 390 -2
☔ View full report in Codecov by Sentry. |
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@MoPinghui if your pr is ready for review, plz click the re-request bottoms besides the reviewers. |
se_attendescriptor and 31-type chemical species. nvnmd-v0 is the old version withse_adescriptor and 4-type chemical species.