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fix pyabacus
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python/pyabacus/src/pyabacus/hsolver/_hsolver.py

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -117,8 +117,8 @@ def davidson(
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precondition: NDArray[np.float64],
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dav_ndim: int = 2,
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tol: float = 1e-2,
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diag_ethr: Union[List[float], None] = None,
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max_iter: int = 1000,
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diag_ethr: Union[List[float], None] = None,
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use_paw: bool = False,
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# scf_type: bool = False
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) -> Tuple[NDArray[np.float64], NDArray[np.complex128]]:
@@ -144,6 +144,8 @@ def davidson(
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The tolerance for the convergence, by default 1e-2.
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max_iter : int, optional
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The maximum number of iterations, by default 1000.
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diag_ethr : List[float] | None, optional
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The list of thresholds of bands, by default None.
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use_paw : bool, optional
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Whether to use projector augmented wave (PAW) method, by default False.
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