UHF

class psi4.core.UHF

Bases: HF

docstring

Methods Summary

c1_deep_copy(self, basis)	Returns a new wavefunction with internal data converted to C_1 symmetry, using pre-c1-constructed BasisSet basis
compute_orbital_gradient(save_fock, ...)	docstring
diis(self, arg0)	docstring
mintshelper(self)	The MintsHelper object
stability_analysis(self)	Assess wfn stability and correct if requested

Methods Documentation

c1_deep_copy(self: psi4.core.UHF, basis: psi4.core.BasisSet) → psi4.core.UHF

Returns a new wavefunction with internal data converted to C_1 symmetry, using pre-c1-constructed BasisSet basis

compute_orbital_gradient(save_fock, max_diis_vectors)

docstring

Return type:

float

Parameters:

• save_fock (bool) –

• max_diis_vectors (int) –

diis(self: psi4.core.HF, arg0: float) → bool

docstring

mintshelper(self: psi4.core.UHF) → psi4.core.MintsHelper

The MintsHelper object

stability_analysis(self: psi4.core.HF) → bool

Assess wfn stability and correct if requested