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 adcc::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¶