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add get_out_bias for linear atomic model #3585

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add get_out_bias for linear atomic model#3585
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branch: develtodo commenttype: todo
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opened on Mar 22, 2024

Line: 296

deepmd-kit//deepmd/dpmodel/atomic_model/linear_atomic_model.py

Lines 293 to 303 in e47478f

def get_out_bias(self) -> np.ndarray:
"""Return the weighted output bias of the linear atomic model."""
# TODO add get_out_bias for linear atomic model
raise NotImplementedError
def is_aparam_nall(self) -> bool:
"""Check whether the shape of atomic parameters is (nframes, nall, ndim).
If False, the shape is (nframes, nloc, ndim).
"""

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