File tree Expand file tree Collapse file tree 1 file changed +3
-1
lines changed
python/pyabacus/src/pyabacus/hsolver Expand file tree Collapse file tree 1 file changed +3
-1
lines changed Original file line number Diff line number Diff line change @@ -117,8 +117,8 @@ def davidson(
117117 precondition : NDArray [np .float64 ],
118118 dav_ndim : int = 2 ,
119119 tol : float = 1e-2 ,
120- diag_ethr : Union [List [float ], None ] = None ,
121120 max_iter : int = 1000 ,
121+ diag_ethr : Union [List [float ], None ] = None ,
122122 use_paw : bool = False ,
123123 # scf_type: bool = False
124124) -> Tuple [NDArray [np .float64 ], NDArray [np .complex128 ]]:
@@ -144,6 +144,8 @@ def davidson(
144144 The tolerance for the convergence, by default 1e-2.
145145 max_iter : int, optional
146146 The maximum number of iterations, by default 1000.
147+ diag_ethr : List[float] | None, optional
148+ The list of thresholds of bands, by default None.
147149 use_paw : bool, optional
148150 Whether to use projector augmented wave (PAW) method, by default False.
149151
You can’t perform that action at this time.
0 commit comments