pyscfad.pbc.gto.cell.Cell.get_uniform_grids

Cell.get_uniform_grids(mesh=None, wrap_around=True)

Generate a uniform real-space grid consistent w/ samp thm; see MH (3.19).

Args:

cell : instance of Cell

Returns:

coords(ngx*ngy*ngz, 3) ndarray

The real-space grid point coordinates.