support fparam/aparam in dp model-devi #2665
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #2665 +/- ##
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+ Coverage 78.35% 79.98% +1.63%
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Files 235 204 -31
Lines 24473 19890 -4583
Branches 1469 0 -1469
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- Hits 19175 15909 -3266
+ Misses 4906 3981 -925
+ Partials 392 0 -392
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wanghan-iapcm
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Add an experimental model called pairwise DPRc, which is fragment-based and integrated with QM/MM. Compression inference and training are supported. Unit tests and documentation have been added. Some features or bugfix to implement this PR have been merged in #2549, #2600, #2601, #2604, #2631, #2635, #2665, #2666, #2667, and #2679. This PR makes some changes to `model.build_descrpt` additionally: - fix errors when the suffix is not empty - fix errors when `fparam` or `aparam` are given - support model-customized `input_map` --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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