Seg Fault when AD on SPH integrals

[jpmedinagl]

There is a seg fault when trying to autodiff through the spherical integrals.

Setup:
scf/sph.rs file with h2o/dev2svp.txt path basis (i,j) = (5,5) to generate d-orbital matrix

Looking at the d-orbital (s, p orbitals don't observe difference):

• sph: generates a 5x5 matrix -> seg faults
• cart: generates a 6x6 matrix -> runs and verified with finite difference

sph:

ijdidj 5555
denv (sph):
Segmentation fault (core dumped)

cart:

ijdidj 5566
<... correct matrices ...>

The sph integral functions (without AD) run fine.