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
- 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