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[Feature Request] MD Engine Support (LAMMPS) for trained model with DMFF

Open WangXinyan940 opened this issue 2 years ago • 0 comments

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

WangXinyan940 avatar Feb 20 '23 01:02 WangXinyan940