diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index cddd9eb3e..1c92407a8 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -28,7 +28,7 @@ repos: # Python - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.1.11 + rev: v0.1.13 hooks: - id: ruff args: ["--fix"] diff --git a/dpgen/generator/arginfo.py b/dpgen/generator/arginfo.py index 70167e4b4..9ed6ba887 100644 --- a/dpgen/generator/arginfo.py +++ b/dpgen/generator/arginfo.py @@ -325,10 +325,12 @@ def model_devi_lmp_args() -> list[Argument]: doc_model_devi_f_trust_hi = "Upper bound of forces for the selection. If list or dict, should be set for each index in sys_configs, respectively." doc_model_devi_v_trust_lo = "Lower bound of virial for the selection. If list or dict, should be set for each index in sys_configs, respectively. Should be used with DeePMD-kit v2.x." doc_model_devi_v_trust_hi = "Upper bound of virial for the selection. If list or dict, should be set for each index in sys_configs, respectively. Should be used with DeePMD-kit v2.x." - doc_model_devi_adapt_trust_lo = "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:\n\n\ + doc_model_devi_adapt_trust_lo = ( + "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:\n\n\ - 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_f*n_frames) frames with largest force model deviation. \n\n\ - 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_v*n_frames) frames with largest virial model deviation. \n\n\ The union of the two sets is made as candidate dataset." + ) doc_model_devi_numb_candi_f = "See model_devi_adapt_trust_lo." doc_model_devi_numb_candi_v = "See model_devi_adapt_trust_lo." doc_model_devi_perc_candi_f = "See model_devi_adapt_trust_lo."