With numpy > v1.9 a bugg is found at calling "lib.einsum" (in rhf.py in properties/nmr) from numpy_helper.py in PySCF main repository. Force to use internal "_einsum_path" solve the problem but I don't know how to do this properly from input/settings.
python v3.13
numpy v2.4.12
With numpy > v1.9 a bugg is found at calling "lib.einsum" (in rhf.py in properties/nmr) from numpy_helper.py in PySCF main repository. Force to use internal "_einsum_path" solve the problem but I don't know how to do this properly from input/settings.
python v3.13
numpy v2.4.12