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 (ArrayLike | None)

Return type:

Array