whether it is possible to set distinct external electric fields for different groups in DPLR.

deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

https://docs.deepmodeling.com/projects/deepmd/

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whether it is possible to set distinct external electric fields for different groups in DPLR. #3420

Open shiruosong opened 9 months ago

shiruosong commented 9 months ago

Summary

Assign different electric fields to distinct groups of atoms, similar to a regular fix efield

Detailed Description

The same external electric field is applied to all atoms in the fix dplr command. Is it possible to assign different electric fields to distinct groups of atoms, similar to a regular fix efield? This would enable simulation of additional scenarios, such as the depolarization field of domain structures.

Further Information, Files, and Links

No response

Yi-FanLi commented 7 months ago

I was at a conference when I saw this. Sorry for the delay in reply.