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Update test_descriptor.py
1 parent 4dfcccd commit 61f954d

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Lines changed: 8 additions & 13 deletions

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source/tests/universal/dpmodel/descriptor/test_descriptor.py

Lines changed: 8 additions & 13 deletions
Original file line numberDiff line numberDiff line change
@@ -573,19 +573,6 @@ def DescriptorParamDPA3(
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)
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def DescriptorParamDPA3DefaultChgSpin(ntypes, rcut, rcut_smth, sel, type_map, **kwargs):
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return DescriptorParamDPA3(
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ntypes,
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rcut,
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rcut_smth,
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sel,
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type_map,
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**kwargs,
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add_chg_spin_ebd=True,
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default_chg_spin=[5.0, 1.0],
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)
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# to get name for the default function
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DescriptorParamDPA3 = DescriptorParamDPA3List[0]
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@@ -814,10 +801,18 @@ def wrapper(*args, **kwargs):
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_descriptor_param_variant(
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DescriptorParamDPA3, "DescriptorParamDPA3_no_loc_mapping", use_loc_mapping=False
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),
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_descriptor_param_variant(
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DescriptorParamDPA3,
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"DescriptorParamDPA3_default_chg_spin",
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add_chg_spin_ebd=True,
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default_chg_spin=[5.0, 1.0],
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),
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# Mixed high-risk combination.
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_descriptor_param_variant(
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DescriptorParamDPA3,
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"DescriptorParamDPA3_mixed_high_risk",
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add_chg_spin_ebd=True,
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default_chg_spin=[5.0, 1.0],
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exclude_types=[[0, 1]],
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optim_update=False,
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edge_init_use_dist=False,

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