How to use the keyword "model_devi_adapt_trust_lo"? #619
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Zhang-pchao
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README: Adaptively determines the lower trust levels of force and virial. This option should be used together with model_devi_numb_candi_f, model_devi_numb_candi_v and optionally with model_devi_perc_candi_f and model_devi_perc_candi_v. dpgen will make two sets: 1. From the frames with force model deviation lower than model_devi_f_trust_hi, select max(model_devi_numb_candi_f, model_devi_perc_candi_fn_frames) frames with largest force model deviation. 2. From the frames with virial model deviation lower than model_devi_v_trust_hi, select max(model_devi_numb_candi_v, model_devi_perc_candi_vn_frames) frames with largest virial model deviation. The union of the two sets is made as candidate dataset.
What is the meaning of model_devi_perc_candi_f*n_frames? Which .py file is the corresponding code?
“The union of the two sets is made as candidate dataset”: Does this mean there is no need to set fp_task_max?
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