dxtb.components.dispersion.new_d4sc

dxtb.components.dispersion.new_d4sc(numbers, par, device=None, dtype=None)

Create new instance of DispersionD4SC.

Return type:

DispersionD4SC | None

Parameters:

• numbers (Tensor) – Atomic numbers for all atoms in the system (shape: (..., nat)).

• par (Param | ParamModule) – Representation of an extended tight-binding model.

Returns:

Instance of the DispersionD4SC class or None if no DispersionD4SC is used.

Return type:

DispersionD4SC | None

Parameters:

• numbers (Tensor)

• par (Param | ParamModule)

• device (device | None)

• dtype (dtype | None)