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As a new user of dpgen, I am wondering during each iteration, what citeria of key value decide the exit of a loop? Or in another word, whether the dpgen have parameter like EDIFF and EDIFFG in vasp? |
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Answered by
njzjz
Jul 25, 2024
Replies: 1 comment
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Exiting the loop is impossible until all iterations defined in |
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Answer selected by
EricGaoOm
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Exiting the loop is impossible until all iterations defined in
model_devi_jobs
are completed. However, the training process can be skipped if the number of new structures is fewer thanfp_task_min
.