how the lammps get the traj file with four different potential. #1301
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njzjz
maoxinxina
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the submit file of lammps is :pair_style deepmd ../graph.000.pb ../graph.001.pb ../graph.002.pb ../graph.003.pb out_freq 20 out_file model_devi.out , I want to know how the lammps get the traj file, with the first potential or a weight of the four potential. |
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Answered by
njzjz
Aug 4, 2023
Replies: 2 comments
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Please read the documentation: https://docs.deepmodeling.com/projects/deepmd/en/master/third-party/lammps-command.html#pair-style-deepmd |
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Answer selected by
maoxinxina
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Thanks。 |
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Please read the documentation: https://docs.deepmodeling.com/projects/deepmd/en/master/third-party/lammps-command.html#pair-style-deepmd