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Feat: add ZBL weighted DP model #3210
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…3240) solve some virial shape issue: should be [9] rather than [3,3] --------- Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>
wanghan-iapcm
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Feb 7, 2024
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anyangml
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Feb 7, 2024
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@njzjz Jit passed, check the UTs in this file deepmd-kit/deepmd/pt/model/model/pairtab_atomic_model.py Lines 50 to 84 in ccf63ce
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This PR is to implement general linear combination of several DPAtomicModels with user defined weights, as well as a special case ZBLModel with weights calculated based on this paper:
Appl. Phys. Lett. 114, 244101 (2019); doi: 10.1063/1.5098061