pyscfad.ml.xtb.kxtb_pad.KXTB#

class pyscfad.ml.xtb.kxtb_pad.KXTB(cell, param=None, kpts=None, **kwargs)[source]#

Bases: KXTB, KSCF

Methods

Parameters:
  • cell (Cell)

  • param (Any | None)

  • kpts (ArrayLike | None)