pyscfad.ml.pbc.gto.cell_pad.make_image_grid#

pyscfad.ml.pbc.gto.cell_pad.make_image_grid(nimgs, dimension=3)[source]#

Static integer translation grid Ts for a fixed number of images.

Ls = Ts @ a then gives fixed-shape lattice vectors for any (traced) lattice matrix a. nimgs may be a scalar or per-dimension sequence and must be a concrete (host) value.