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The force on ghost atoms is still the negative gradient of total energy (in this processor): |
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I thought that Deepmd doesn't output the force on the ghost atoms, but it seems that there is a value assigned to the force on the ghost atom in Lammps extension(https://github.com/deepmodeling/deepmd-kit/blob/master/source/lmp/pair_deepmd.cpp). What confuse me is that how to calculate the force on ghost atoms?
Besides, why we still need to reverse communicate when we request a full neighbor list?
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