pyscfad.xtb.kxtb.gamma_GFN1

pyscfad.xtb.kxtb.gamma_GFN1(cell, param, ewald_alpha, ewald_mesh=None)

Parameters:

• cell (Cell)

• param (GFN1MolParam)

• ewald_alpha (float)

• ewald_mesh (Array | ndarray | bool | number | bool | int | float | complex | TypedNdArray | None)

Return type:

Array