pyscfad.pbc.dft.gen_grid.UniformGrids.make_mask

UniformGrids.make_mask(cell=None, coords=None, relativity=0, shls_slice=None, verbose=None)

Mask to indicate whether a shell is zero on grid. The resultant mask array is an extension to the mask array used in molecular code (see also pyscf.dft.numint.make_mask function). For given shell ID and block ID, the value of the extended mask array means the number of images in Ls that does not vanish.