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refactor the class for type embedding and dipole fitting #3545

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github-actions bot opened this issue Mar 19, 2024 · 1 comment · Fixed by #3583
Closed

refactor the class for type embedding and dipole fitting #3545

github-actions bot opened this issue Mar 19, 2024 · 1 comment · Fixed by #3583

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Line: 358

"dim_descrpt": self.dim_descrpt,
"embedding_width": self.dim_rot_mat_1,
# very bad design: type embedding is not passed to the class
# TODO: refactor the class for type embedding and dipole fitting
"mixed_types": False,
"dim_out": 3,
"neuron": self.n_neuron,
"resnet_dt": self.resnet_dt,
"activation_function": self.activation_function_name,
"precision": self.fitting_precision.name,
"exclude_types": [],

@njzjz njzjz self-assigned this Mar 21, 2024
@njzjz njzjz linked a pull request Mar 21, 2024 that will close this issue
github-merge-queue bot pushed a commit that referenced this issue Mar 22, 2024
Fix #3533. Fix #3542. Fix #3545. Fix #3546. Fix #3547. Fix #3548. Fix
#3549. Fix #3550.

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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Closed in commit a58dbc6

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