As can be read in the pyscf.dft documentation, there should be the possibility of generating the coordinates of the grid for numerical integration. According to the documentation, one can generate the coordinates with the
get_partition function, which is part of the
My question is the following: If the
get_partition function returns the mesh grid coordinates and the corresponding grid weights, how can one directly access and manipulate the generated data (printing, shaping arrays, etc.)? I tried to print the grid coordinates, which are returned as an array according to the documentation, but it is not specified under which name the grid coordinates are returned.