Hi there, I am a pre-grade student so please be kind. I’m in trouble with my hf script project.
I was trying with a preliminar program to test the psi4 with this code:
S = mints.ao_overlap()
T = mints.ao_potential()
V = mints.ao_kinetic()
I = mints.ao_eri()
Enuc = molecule.nuclear_repulsion_energy()
H 1 1.0
H 1 1.0 2 104.5"""
but when I run the code I get this error:
NameError: name ‘Wavefunction’ is not defined
And I don´t know what to do.