pyscfad.pbc.gto.cell.Cell.gen_uniform_grids#

Cell.gen_uniform_grids(mesh=None, wrap_around=True)[source]#

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.