pyscfad.ml.pbc.gto.cell_pad.CellPad.lattice_intor#

CellPad.lattice_intor(intor_name, comp=None, hermi=0, Ls=None, shls_slice=None, cuint_plan=None)[source]#

Lattice one-electron integrals over the padded cell.

Same backend conventions as pyscfad.pbc.gto.cell_lite.Cell.lattice_intor() (CPU: lower triangle for hermi=1; cuint: halved diagonal blocks).

Parameters:

  • intor_name (str)

  • comp (int | None)

  • hermi (int)

  • Ls (ArrayLike | None)

  • shls_slice (tuple[int, ...] | None)

  • cuint_plan (CuintPlan | None)

Return type:

Array