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Feat: numpy pairtab model #3212

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merged 58 commits into from
Feb 4, 2024

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@anyangml anyangml commented Feb 1, 2024

This PR is to provide backend independent implementation of PairTabModel in numpy. Also the cross framework serialization and deserialization are added.

Anyang Peng and others added 30 commits January 28, 2024 15:17
deepmd/utils/pair_tab.py Outdated Show resolved Hide resolved
@anyangml anyangml marked this pull request as ready for review February 2, 2024 07:27
source/tests/common/test_pairtab.py Outdated Show resolved Hide resolved
deepmd/dpmodel/model/pair_tab_model.py Outdated Show resolved Hide resolved
result["energy"], expected_result["energy"], rtol=0.0001, atol=0.0001
)

model1 = torch.jit.script(model1)

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Code scanning / CodeQL

Unused local variable Note test

Variable model1 is not used.
@anyangml anyangml requested a review from njzjz February 4, 2024 02:52
@wanghan-iapcm wanghan-iapcm merged commit 7db1fde into deepmodeling:devel Feb 4, 2024
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@njzjz njzjz mentioned this pull request Apr 2, 2024
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3 participants