The factorial2 method of scipy as changed from f2(x<1) = 1 to f2(x<1) = 0.
This causes a lot of issues with the norm of the atomic orbitals that then become infinite in some cases.
This happens in python 3.9 that uses scipy 1.11 as default but not on python 3.8 where the default version in 1.10
NicoRenaud
commented
7 months ago
The factorial2 method of scipy as changed from f2(x<1) = 1 to f2(x<1) = 0. This causes a lot of issues with the norm of the atomic orbitals that then become infinite in some cases.
This happens in python 3.9 that uses scipy 1.11 as default but not on python 3.8 where the default version in 1.10