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).

Parameters:

cell – instance of Cell

Returns:

(ngx*ngy*ngz, 3) ndarray

The real-space grid point coordinates.

Return type:

coords