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add more abstractmethods to universal DeepPot #3175

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merged 2 commits into from
Jan 24, 2024
Merged

add more abstractmethods to universal DeepPot #3175

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bbd6170
add abstractmethod get_ntypes and get_type_map to universal DeepPot
njzjz Jan 24, 2024
af6b05e
also add get_dim_fparam and get_dim_aparam
njzjz Jan 24, 2024
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16 changes: 16 additions & 0 deletions deepmd_utils/infer/deep_pot.py
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Original file line number Diff line number Diff line change
Expand Up @@ -122,5 +122,21 @@ def eval(
# dpdata
# ase

@abstractmethod
def get_ntypes(self) -> int:
"""Get the number of atom types of this model."""

@abstractmethod
def get_type_map(self) -> List[str]:
"""Get the type map (element name of the atom types) of this model."""

@abstractmethod
def get_dim_fparam(self) -> int:
"""Get the number (dimension) of frame parameters of this DP."""

@abstractmethod
def get_dim_aparam(self) -> int:
"""Get the number (dimension) of atomic parameters of this DP."""


__all__ = ["DeepPot"]
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