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