deepmodeling / deepmodeling/DMFF
[Feature Request] MD Engine Support (LAMMPS) for trained model with DMFF
Open
enhancement
- Dominant language
- Python
- Stars
- 198
- Forks
- 49
- PR merge metrics
- No merged PRs in 30d
Description
### Summary
Implement the communication of LAMMPS and DMFF trained model in c++ interface.
### Motivation
Similar with #85 , supporting of popular MD engines would make cutting-edge forcefield easier to be implemented and tested. People can use DMFF with MD engines they are familiar with.
### Suggested Solutions
_No response_
### Further Information, Files, and Links
_No response_
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