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update dynamic sel
1 parent cbbce64 commit 107cecd

7 files changed

Lines changed: 861 additions & 77 deletions

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deepmd/dpmodel/descriptor/dpa3.py

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Original file line numberDiff line numberDiff line change
@@ -151,6 +151,8 @@ def __init__(
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skip_stat: bool = False,
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optim_update: bool = True,
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smooth_edge_update: bool = False,
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use_dynamic_sel: bool = False,
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sel_reduce_factor: float = 10.0,
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) -> None:
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self.n_dim = n_dim
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self.e_dim = e_dim
@@ -177,6 +179,8 @@ def __init__(
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self.a_compress_use_split = a_compress_use_split
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self.optim_update = optim_update
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self.smooth_edge_update = smooth_edge_update
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self.use_dynamic_sel = use_dynamic_sel
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self.sel_reduce_factor = sel_reduce_factor
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def __getitem__(self, key):
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if hasattr(self, key):

deepmd/pt/model/descriptor/dpa3.py

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Original file line numberDiff line numberDiff line change
@@ -150,6 +150,8 @@ def init_subclass_params(sub_data, sub_class):
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fix_stat_std=self.repflow_args.fix_stat_std,
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optim_update=self.repflow_args.optim_update,
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smooth_edge_update=self.repflow_args.smooth_edge_update,
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use_dynamic_sel=self.repflow_args.use_dynamic_sel,
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sel_reduce_factor=self.repflow_args.sel_reduce_factor,
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exclude_types=exclude_types,
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env_protection=env_protection,
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precision=precision,

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