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it would be better if GPUMD could consider constant potential. #655

@linger1234567

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@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

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