pyscfad.pbc.tools.pbc

Functions

get_lattice_Ls(cell[, nimgs, rcut, ...])	Get the lattice translation vectors for lattice sum.
get_nimgs(cell[, rcut, dimension])	Get the number of periodic images given the cutoff radius.
madelung(cell, kpts[, omega])
nimgs_to_lattice_Ls(cell[, nimgs, dimension])	Get the lattice translation vectors given the number of periodic images.