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, ...)

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diis(self, arg0)

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mintshelper(self)

The MintsHelper object

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