diff --git a/gbasis/contractions.py b/gbasis/contractions.py index 3c1183e7..06c26c13 100644 --- a/gbasis/contractions.py +++ b/gbasis/contractions.py @@ -141,7 +141,7 @@ def __init__( "spherical" or "p". icenter : np.int64 or None (optional) Index for the atomic center for the contraction - ovr_tol : float + tol : float Tolerance used in overlap screening. ovr_screen : boolean Flag used for activating overlap screening. diff --git a/gbasis/wrappers.py b/gbasis/wrappers.py index 22c26d02..968ad364 100644 --- a/gbasis/wrappers.py +++ b/gbasis/wrappers.py @@ -12,7 +12,7 @@ def from_iodata(mol, tol=1e-20, overlap=False): `IOData` instance from `iodata` module. tol : float Tolerance used in overlap screening. - ovrlap : bool + overlap : bool Flag for performing overlap screening between contractions. Returns