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Update deep_eval.py
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iProzd committed Feb 28, 2024
1 parent 6c0ef31 commit 6eddb89
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4 changes: 4 additions & 0 deletions deepmd/tf/infer/deep_eval.py
Original file line number Diff line number Diff line change
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)
from typing import (
TYPE_CHECKING,
Any,
Callable,
Dict,
List,
Expand Down Expand Up @@ -693,6 +694,7 @@ def eval(
fparam: Optional[np.ndarray] = None,
aparam: Optional[np.ndarray] = None,
efield: Optional[np.ndarray] = None,
**kwargs: Dict[str, Any],
) -> Dict[str, np.ndarray]:
"""Evaluate the energy, force and virial by using this DP.
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efield
The external field on atoms.
The array should be of size nframes x natoms x 3
**kwargs
Other parameters
Returns
-------
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