HartreeFockSolution_i

class libadcc.HartreeFockSolution_i

Bases: pybind11_builtins.pybind11_object

Interface class representing the data expected in adcc from an interfacing HF / SCF program. Python binding to HartreeFockSolution_i

Attributes Summary

`backend`
`conv_tol`
`energy_scf`
`fock_ff`
`n_alpha`
`n_bas`
`n_beta`
`n_orbs`
`n_orbs_alpha`
`n_orbs_beta`
`occupation_f`
`orbcoeff_fb`
`orben_f`
`restricted`
`spin_multiplicity`

Attributes Documentation

backend

conv_tol

energy_scf

fock_ff

n_alpha

n_bas

n_beta

n_orbs

n_orbs_alpha

n_orbs_beta

occupation_f

orbcoeff_fb

orben_f

restricted

spin_multiplicity