Merge DeepH-E3 and xDeepH into the current repository
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mzjb commented
Merge two methods, DeepH-E3 and xDeepH, into DeepH-pack
. This will allow us to better integrate the DeepH series methods and maintain them more effectively.
Here are the details of the two methods:
- DeepH-E3
- Repository: https://github.com/Xiaoxun-Gong/DeepH-E3
- Paper: General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian
(accepted by Nature Communications)
- xDeepH
- Repository: https://github.com/mzjb/xDeepH
- Paper: Deep-learning electronic-structure calculation of magnetic superstructures (accepted by Nature Computational Science)