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see #831 |
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Teacher, the 01.model_devi get a error.
use deepmd-kit at: /public/home/duanxiangmei/softwore/deepmd-kitpair_coeff
ERROR: Incorrect args for pair coefficients (src/input.cpp:1680)
Last command: pair_coeff
I checked the input.lammps file, I found that the pair_coeff parameter was empty.
"pair_style deepmd ../graph.000.pb ../graph.003.pb ../graph.002.pb ../graph.001.pb out_freq ${THERMO_FREQ} out_file model_devi.out
pair_coeff"
If I add ** to pair_coeff in input.lammps in all folders, the 01.model_devi can proceed smoothly. But the second iteration needs to be changed again, which is very troublesome.
I would like to know if this is due to a missing parameter in param.json or machine.json?
Thanks a lot
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