deepmodeling / deepmodeling/deepks-kit
Parameters for regulating hybridised generalised functions are not supported in the scf_abacus.yaml file
Open
- Dominant language
- Python
- Stars
- 120
- Forks
- 39
- PR merge metrics
- No merged PRs in 30d
Description
Exx_hybrid__alpha is set when generating high-precision data labels in the deepks init step. But it prompts the following in err.iter.
"following ars are not in the default list: ['exx_hybrid__alpha']and would be discarded"
This causes the generated data labels to be less precise. Is there any way to fix this? Or can I add this parameter when using the deepks model later to get accurate results?
Contributor guide
No contributing guide indexed for this repository
Assessment
This issue has not been assessed yet.