diff --git a/deepmd/dpmodel/fitting/dipole_fitting.py b/deepmd/dpmodel/fitting/dipole_fitting.py index b29c6de3df..20e732823b 100644 --- a/deepmd/dpmodel/fitting/dipole_fitting.py +++ b/deepmd/dpmodel/fitting/dipole_fitting.py @@ -108,10 +108,8 @@ def __init__( c_differentiable: bool = True, type_map: Optional[List[str]] = None, old_impl=False, - # not used seed: Optional[Union[int, List[int]]] = None, ): - # seed, uniform_seed are not included if tot_ener_zero: raise NotImplementedError("tot_ener_zero is not implemented") if spin is not None: @@ -143,6 +141,7 @@ def __init__( mixed_types=mixed_types, exclude_types=exclude_types, type_map=type_map, + seed=seed, ) self.old_impl = False diff --git a/deepmd/dpmodel/fitting/dos_fitting.py b/deepmd/dpmodel/fitting/dos_fitting.py index 5a5eb8840a..0d4cee68e2 100644 --- a/deepmd/dpmodel/fitting/dos_fitting.py +++ b/deepmd/dpmodel/fitting/dos_fitting.py @@ -45,7 +45,6 @@ def __init__( mixed_types: bool = False, exclude_types: List[int] = [], type_map: Optional[List[str]] = None, - # not used seed: Optional[Union[int, List[int]]] = None, ): if bias_dos is not None: @@ -69,6 +68,7 @@ def __init__( mixed_types=mixed_types, exclude_types=exclude_types, type_map=type_map, + seed=seed, ) @classmethod diff --git a/deepmd/dpmodel/fitting/ener_fitting.py b/deepmd/dpmodel/fitting/ener_fitting.py index 9e639c1de2..60f23f9628 100644 --- a/deepmd/dpmodel/fitting/ener_fitting.py +++ b/deepmd/dpmodel/fitting/ener_fitting.py @@ -46,7 +46,6 @@ def __init__( mixed_types: bool = False, exclude_types: List[int] = [], type_map: Optional[List[str]] = None, - # not used seed: Optional[Union[int, List[int]]] = None, ): super().__init__( @@ -70,6 +69,7 @@ def __init__( mixed_types=mixed_types, exclude_types=exclude_types, type_map=type_map, + seed=seed, ) @classmethod diff --git a/deepmd/dpmodel/fitting/invar_fitting.py b/deepmd/dpmodel/fitting/invar_fitting.py index fa5e3f0802..2e469eefe1 100644 --- a/deepmd/dpmodel/fitting/invar_fitting.py +++ b/deepmd/dpmodel/fitting/invar_fitting.py @@ -5,6 +5,7 @@ Dict, List, Optional, + Union, ) import numpy as np @@ -134,8 +135,8 @@ def __init__( mixed_types: bool = True, exclude_types: List[int] = [], type_map: Optional[List[str]] = None, + seed: Optional[Union[int, List[int]]] = None, ): - # seed, uniform_seed are not included if tot_ener_zero: raise NotImplementedError("tot_ener_zero is not implemented") if spin is not None: @@ -172,6 +173,7 @@ def __init__( if atom_ener is None or len([x for x in atom_ener if x is not None]) == 0 else [x is not None for x in atom_ener], type_map=type_map, + seed=seed, ) def serialize(self) -> dict: diff --git a/deepmd/dpmodel/fitting/polarizability_fitting.py b/deepmd/dpmodel/fitting/polarizability_fitting.py index dd85a00392..9f046af6cc 100644 --- a/deepmd/dpmodel/fitting/polarizability_fitting.py +++ b/deepmd/dpmodel/fitting/polarizability_fitting.py @@ -114,10 +114,8 @@ def __init__( scale: Optional[List[float]] = None, shift_diag: bool = True, type_map: Optional[List[str]] = None, - # not used seed: Optional[Union[int, List[int]]] = None, ): - # seed, uniform_seed are not included if tot_ener_zero: raise NotImplementedError("tot_ener_zero is not implemented") if spin is not None: @@ -167,6 +165,7 @@ def __init__( mixed_types=mixed_types, exclude_types=exclude_types, type_map=type_map, + seed=seed, ) self.old_impl = False