Summary
Fitting should add methods to get fparam, aparam, and sel_types.
Detailed Description
Add these methods so the model can get it.
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def get_dim_fparam(self) -> int: |
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"""Get the number (dimension) of frame parameters of this atomic model.""" |
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return 0 |
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def get_dim_aparam(self) -> int: |
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"""Get the number (dimension) of atomic parameters of this atomic model.""" |
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return 0 |
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def get_sel_type(self) -> List[int]: |
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"""Get the selected atom types of this model. |
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Only atoms with selected atom types have atomic contribution |
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to the result of the model. |
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If returning an empty list, all atom types are selected. |
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""" |
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return [] |
Further Information, Files, and Links
No response
Summary
Fitting should add methods to get fparam, aparam, and sel_types.
Detailed Description
Add these methods so the model can get it.
deepmd-kit/deepmd/dpmodel/model/dp_atomic_model.py
Lines 147 to 162 in 612bedc
Further Information, Files, and Links
No response