Closed Layne-Huang closed 2 years ago
Hi Layne,
In our experiments, we use pyscf==1.7.6.post1 and the error does not happen. It seems that the latest pyscf==2.0 has removed the polarizability calculation. Could you please try running the code with pyscf==1.7.6.post1?
Best regards, Youzhi Luo
Howdy,
I found when I call the
geom2alpha
in DIG/dig/ggraph3D/utils/eval_prop_utils.py, it threw the error "AttributeError: 'RKS' object has no attribute 'Polarizability'".Could you please help me fix this issue?
Best regards. Layne