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Support for nspin>1 in DeePKS should be added in the future. #6092

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Support for nspin>1 in DeePKS should be added in the future.#6092
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ErjieWu
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Features NeededThe features are indeed needed, and developers should have sophisticated knowledgeMachine LearningIssues related to the DeePKS
@ErjieWu

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@ErjieWu
ErjieWu
opened on Apr 1, 2025

Background

In DeePKS, the functions for nspin=2 has not been carefully checked and has no integral test. Also, nspin=4 is not supported now.

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Support for different nspin value should be added in the future.

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Features NeededThe features are indeed needed, and developers should have sophisticated knowledgeMachine LearningIssues related to the DeePKS

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