potential energy is constant in NPT #2316
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goodluck-xyz
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I fit a MLP by deepmd. When I run LAMMPS with this MLPwhere is something wrong.When I run
lmp_mpi -i, the density is very large. In log.lammps, the potential energy is constant.When I run by
mpirun -np 4 lmp_mpi -i, everything is OK.How can I fix this problem?
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