deepmodeling / deepmodeling/DeePTB
Bug: torch eig_solver fail in some systems
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Bug Report
- Dominant language
- Python
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- 122
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Description
### Describe the bug
Some user reported an issus when plotting bands for some system not included in training dataset.
This is a bug related to torch(v2.5.0) itself. When the user adopted torch with lower version(v2.4.1), the band plotting is successful. Furthermore, the user adopted another eig_solver(numpy) implemented in DeePTB, the plotting is also successful.
### Expected behavior
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### To Reproduce
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### Environment
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### Additional Context
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