grasp structure from raw/file #2006
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Wangmumu0403
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This is the scope of dpdata. See documentation. |
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I have use all OUTCAR calculated by VASP to get the raw to train NNP, but i forget to store all configuration, so now I want to grasp structure file from the raw file ，does deepmd has any operation to help user to grasp structure from raw file as a POSCAR or xyz format ?
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