Point Charges

class autode.point_charges.PointCharge(charge: float, x: float = 0.0, y: float = 0.0, z: float = 0.0, coord: Sequence | None = None)

__init__(charge: float, x: float = 0.0, y: float = 0.0, z: float = 0.0, coord: Sequence | None = None)

Point charge

Keyword Arguments:

• x (float) – x coordinate (Å)

• y (float) – y coordinate (Å)

• z (float) – z coordinate (Å)

• coord (np.ndarray | None) – Length 3 array of x, y, z coordinates or None