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Atomic energy should be printed by compute pe/atom command. However, I remember the atomic energy is not passed to lammps in pair_style deepmd. Maybe you could confirm the situation. |
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Yes. compute pe/atom command works. And I verify that by DeepPot. Thanks a lot! |
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Hellow everyone. I wonder how to dump the atomic energy from lammps. Which keyword should we use in lammps input file?
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