it would be better if GPUMD could consider constant potential.

[linger1234567]

Electric field is important in simulating solid-liquid systems. It is necessary to apply an electric field in different regions at least. It would be better if a constant potential method (CPM) could be achieved (under the action of the electric field, ions will migrate to offset the electric field, so it is necessary to adjust the electric field to maintain a constant potential between the electrodes). Applying electric fields to different regions and atoms in Lammps:

1. Applying electric field: Command in Lammps: fix ID group-ID style ex ey ez Webpage : https://docs.lammps.org/fix_efield.html A constant potential can also be applied between the electrodes for Lammps:
2. Apply constant potential method between electrodes: Command in Lammps: fix ID group-ID style args keyword value Webpage : https://docs.lammps.org/fix_electrode.html

[Ternity]

Good feature request! Recently, a constant potential machine learning force field method based on DeepMD-kit has been developed. We look forward to the progress of GPUMD and NEP in this regard.