Is it necessary to add a parameter to ignore the convergence check? #350
panxiang126
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Good suggestion, could you please commit a PR for it? |
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Okay. |
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When I extracted the results of vasp using dpdata, it automatically ignored some unconverged data, which was reasonable for the next training with deepmd. But if I only want to extract the trajectories, some structures will be missed. Therefore, I am wondering if it is necessary to add an option to ignore the convergence check and provide a warning.
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