deepmodeling / deepmodeling/deepmd-kit
ZBL+DEEPMD
Open
enhancement
- Dominant language
- Python
- Stars
- 2k
- Forks
- 649
- Avg merge
- 6d 18h
- Merged PRs (30d)
- 15
Description
### Summary
Embed ZBL into DEEPMD, specifying the cut-off radius in the input file.
### Detailed Description
deepmd-kit not only fits the neural network potential, but also fits the zbl parameters
### Further Information, Files, and Links
_No response_
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