Summary

Hi,

I am trying to create a DPLR model for Si. I need to know how to create the atomic_dipole.npy file. Nowhere do I see how to create this file. Since it is one of the important files to train the DPLR model, I am stuck at this level. Please help me create this.

DeePMD-kit Version

v2.2.11

Backend and its version

V2.15.0

Python Version, CUDA Version, GCC Version, LAMMPS Version, etc

No response

Details

Hi,

I am trying to create a DPLR model for Si. I need to know how to create the atomic_dipole.npy file. Nowhere do I see how to create this file. Since it is one of the important files to train the DPLR model, I am stuck at this level. Please help me create this.