# MintsHelper

class `psi4.core.``MintsHelper`

  Bases: `pybind11_builtins.pybind11_object`

  Computes integrals

  Methods Summary

  `ao_3coverlap`(*args, **kwargs) | Overloaded function.
  `ao_angular_momentum`(self) | Vector AO angular momentum integrals
  `ao_dipole`(self) | Vector AO dipole integrals
  `ao_dkh`(self, arg0) | AO dkh integrals
  `ao_ecp`(*args, **kwargs) | Overloaded function.
  `ao_efp_multipole_potential`(self, origin, …) | Vector AO EFP multipole integrals
  `ao_erf_eri`(self, omega, factory) | AO ERF integrals
  `ao_eri`(*args, **kwargs) | Overloaded function.
  `ao_eri_shell`(self, M, N, P, Q) | AO ERI Shell
  `ao_f12`(*args, **kwargs) | Overloaded function.
  `ao_f12_double_commutator`(self, corr) | AO F12 double commutator integrals
  `ao_f12_scaled`(*args, **kwargs) | Overloaded function.
  `ao_f12_squared`(*args, **kwargs) | Overloaded function.
  `ao_f12g12`(self, corr) | AO F12G12 integrals
  `ao_kinetic`(*args, **kwargs) | Overloaded function.
  `ao_nabla`(self) | Vector AO nabla integrals
  `ao_oei_deriv1`(self, arg0, arg1) | Gradient of AO basis OEI integrals: returns (3 * natoms) matrices
  `ao_oei_deriv2`(self, arg0, arg1, arg2) | Hessian of AO basis OEI integrals: returns (3 * natoms)^2 matrices
  `ao_overlap`(*args, **kwargs) | Overloaded function.
  `ao_potential`(*args, **kwargs) | Overloaded function.
  `ao_pvp`(self) | AO pvp integrals
  `ao_quadrupole`(self) | Vector AO quadrupole integrals
  `ao_tei_deriv1`(self, atom, omega, factory) | Gradient of AO basis TEI integrals: returns (3 * natoms) matrices
  `ao_tei_deriv2`(self, arg0, arg1) | Hessian of AO basis TEI integrals: returns (3 * natoms)^2 matrices
  `ao_traceless_quadrupole`(self) | Vector AO traceless quadrupole integrals
  `basisset`(self) | Returns the basis set being used
  `cdsalcs`(self, arg0, arg1, arg2) | Returns a CdSalcList object
  `core_hamiltonian_grad`(self, arg0) | First nuclear derivative T + V + Perturb integrals
  `dipole_grad`(self, arg0) | First nuclear derivative dipole integrals
  `electric_field`(self, origin, 0.0, 0.0], deriv) | Vector electric field integrals
  `factory`(self) | Returns the Matrix factory being used
  `integral`(self) | Integral factory being used
  `integrals`(self) | Molecular integrals
  `integrals_erf`(self, w) | ERF integrals
  `integrals_erfc`(self, w) | ERFC integrals
  `kinetic_grad`(self, arg0) | First nuclear derivative kinetic integrals
  `mo_erf_eri`(self, omega, C1, C2, C3, C4) | MO ERFC Omega Integrals
  `mo_eri`(self, C1, C2, C3, C4) | MO ERI Integrals.
  `mo_f12`(self, corr, C1, C2, C3, C4) | MO F12 Integrals
  `mo_f12_double_commutator`(self, corr, C1, C2, …) | MO F12 double commutator integrals
  `mo_f12_squared`(self, corr, C1, C2, C3, C4) | MO F12 squared integrals
  `mo_f12g12`(self, corr, C1, C2, C3, C4) | MO F12G12 integrals
  `mo_oei_deriv1`(self, arg0, arg1, arg2, arg3) | Gradient of MO basis OEI integrals: returns (3 * natoms) matrices
  `mo_oei_deriv2`(self, arg0, arg1, arg2, arg3, arg4) | Hessian of MO basis OEI integrals: returns (3 * natoms)^2 matrices
  `mo_spin_eri`(self, C1, C2) | Symmetric MO Spin ERI Integrals
  `mo_tei_deriv1`(self, arg0, arg1, arg2, arg3, arg4) | Gradient of MO basis TEI integrals: returns (3 * natoms) matrices
  `mo_tei_deriv2`(self, arg0, arg1, arg2, arg3, …) | Hessian of MO basis TEI integrals: returns (3 * natoms)^2 matrices
  `mo_transform`(self, Iso, C1, C2, C3, C4) | N^5 ao to mo transfrom, in memory
  `nbf`(self) | Returns the number of basis functions
  `one_electron_integrals`(self) | Standard one-electron integrals
  `overlap_grad`(self, arg0) | First nuclear derivative overlap integrals
  `perturb_grad`(*args, **kwargs) | Overloaded function.
  `petite_list`(self) | Returns petite list, which transforms AO basis functions to SO’s
  `petite_list1`(self, include_pure_transform) | Returns petite list which transforms AO basis functions to SO’s, setting argument to true is for Cartesian basis, false is for Spherical Harmonic basis
  `play`(self) | play function
  `potential_grad`(self, arg0) | First nuclear derivative potential integrals
  `set_print`(self, arg0) | Sets the print level
  `set_rel_basisset`(self, rel_basis) | Sets the relativistic basis set
  `so_angular_momentum`(self) | Vector SO angular momentum integrals
  `so_dipole`(self) | Vector SO dipole integrals
  `so_dkh`(self, arg0) | SO dkh integrals
  `so_ecp`(self) | SO basis effective core potential integrals.
  `so_kinetic`(self) | SO basis kinetic integrals
  `so_nabla`(self) | Vector SO nabla integrals
  `so_overlap`(self) | SO basis overlap integrals
  `so_potential`(self, include_perturbations) | SO basis potential integrals
  `so_quadrupole`(self) | Vector SO quadrupole integrals
  `so_traceless_quadrupole`(self) | Vector SO traceless quadrupole integrals
  `sobasisset`(self) | Returns the SO basis set being used

  Methods Documentation

  `ao_3coverlap`(*args, **kwargs)

    Overloaded function.

    1. ao_3coverlap(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    3 Center overlap integrals

    2. ao_3coverlap(self: psi4.core.MintsHelper, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet) -> psi4.core.Matrix

    3 Center overalp integrals

  `ao_angular_momentum`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO angular momentum integrals

  `ao_dipole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO dipole integrals

  `ao_dkh`(self: psi4.core.MintsHelper, arg0: int) → psi4.core.Matrix

    AO dkh integrals

  `ao_ecp`(*args, **kwargs)

    Overloaded function.

    1. ao_ecp(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis effective core potential integrals.

    2. ao_ecp(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO basis effective core potential integrals.

  `ao_efp_multipole_potential`(self: psi4.core.MintsHelper, origin: List[float]=[0.0, 0.0, 0.0], deriv: int=0) → List[psi4.core.Matrix]

    Vector AO EFP multipole integrals

  `ao_erf_eri`(self: psi4.core.MintsHelper, omega: float, factory: psi4.core.IntegralFactory=None) → psi4.core.Matrix

    AO ERF integrals

  `ao_eri`(*args, **kwargs)

    Overloaded function.

    1. ao_eri(self: psi4.core.MintsHelper, factory: psi4.core.IntegralFactory=None) -> psi4.core.Matrix

    AO ERI integrals

    2. ao_eri(self: psi4.core.MintsHelper, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO ERI integrals

  `ao_eri_shell`(self: psi4.core.MintsHelper, M: int, N: int, P: int, Q: int) → psi4.core.Matrix

    AO ERI Shell

  `ao_f12`(*args, **kwargs)

    Overloaded function.

    1. ao_f12(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 integrals

    2. ao_f12(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 integrals

  `ao_f12_double_commutator`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) → psi4.core.Matrix

    AO F12 double commutator integrals

  `ao_f12_scaled`(*args, **kwargs)

    Overloaded function.

    1. ao_f12_scaled(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 intgerals

    2. ao_f12_scaled(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 intgerals

  `ao_f12_squared`(*args, **kwargs)

    Overloaded function.

    1. ao_f12_squared(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 squared integrals

    2. ao_f12_squared(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 squared integrals

  `ao_f12g12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) → psi4.core.Matrix

    AO F12G12 integrals

  `ao_kinetic`(*args, **kwargs)

    Overloaded function.

    1. ao_kinetic(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis kinetic integrals

    2. ao_kinetic(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis kinetic integrals

  `ao_nabla`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO nabla integrals

  `ao_oei_deriv1`(self: psi4.core.MintsHelper, arg0: str, arg1: int) → List[psi4.core.Matrix]

    Gradient of AO basis OEI integrals: returns (3 * natoms) matrices

  `ao_oei_deriv2`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: int) → List[psi4.core.Matrix]

    Hessian of AO basis OEI integrals: returns (3 * natoms)^2 matrices

  `ao_overlap`(*args, **kwargs)

    Overloaded function.

    1. ao_overlap(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis overlap integrals

    2. ao_overlap(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis overlap integrals

  `ao_potential`(*args, **kwargs)

    Overloaded function.

    1. ao_potential(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO potential integrals

    2. ao_potential(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis potential integrals

  `ao_pvp`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    AO pvp integrals

  `ao_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO quadrupole integrals

  `ao_tei_deriv1`(self: psi4.core.MintsHelper, atom: int, omega: float=0.0, factory: psi4.core.IntegralFactory=None) → List[psi4.core.Matrix]

    Gradient of AO basis TEI integrals: returns (3 * natoms) matrices

  `ao_tei_deriv2`(self: psi4.core.MintsHelper, arg0: int, arg1: int) → List[psi4.core.Matrix]

    Hessian of AO basis TEI integrals: returns (3 * natoms)^2 matrices

  `ao_traceless_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO traceless quadrupole integrals

  `basisset`(self: psi4.core.MintsHelper) → psi::BasisSet

    Returns the basis set being used

  `cdsalcs`(self: psi4.core.MintsHelper, arg0: int, arg1: bool, arg2: bool) → psi4.core.CdSalcList

    Returns a CdSalcList object

  `core_hamiltonian_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative T + V + Perturb integrals

  `dipole_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative dipole integrals

  `electric_field`(self: psi4.core.MintsHelper, origin: List[float]=[0.0, 0.0, 0.0], deriv: int=0) → List[psi4.core.Matrix]

    Vector electric field integrals

  `factory`(self: psi4.core.MintsHelper) → psi4.core.MatrixFactory

    Returns the Matrix factory being used

  `integral`(self: psi4.core.MintsHelper) → psi4.core.IntegralFactory

    Integral factory being used

  `integrals`(self: psi4.core.MintsHelper) → None

    Molecular integrals

  `integrals_erf`(self: psi4.core.MintsHelper, w: float=-1.0) → None

    ERF integrals

  `integrals_erfc`(self: psi4.core.MintsHelper, w: float=-1.0) → None

    ERFC integrals

  `kinetic_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative kinetic integrals

  `mo_erf_eri`(self: psi4.core.MintsHelper, omega: float, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO ERFC Omega Integrals

  `mo_eri`(self: psi4.core.MintsHelper, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO ERI Integrals. Pass appropriate MO coefficients

  `mo_f12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 Integrals

  `mo_f12_double_commutator`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 double commutator integrals

  `mo_f12_squared`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 squared integrals

  `mo_f12g12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12G12 integrals

  `mo_oei_deriv1`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix) → List[psi4.core.Matrix]

    Gradient of MO basis OEI integrals: returns (3 * natoms) matrices

  `mo_oei_deriv2`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: int, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → List[psi4.core.Matrix]

    Hessian of MO basis OEI integrals: returns (3 * natoms)^2 matrices

  `mo_spin_eri`(self: psi4.core.MintsHelper, C1: psi4.core.Matrix, C2: psi4.core.Matrix) → psi4.core.Matrix

    Symmetric MO Spin ERI Integrals

  `mo_tei_deriv1`(self: psi4.core.MintsHelper, arg0: int, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → List[psi4.core.Matrix]

    Gradient of MO basis TEI integrals: returns (3 * natoms) matrices

  `mo_tei_deriv2`(self: psi4.core.MintsHelper, arg0: int, arg1: int, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix, arg5: psi4.core.Matrix) → List[psi4.core.Matrix]

    Hessian of MO basis TEI integrals: returns (3 * natoms)^2 matrices

  `mo_transform`(self: psi4.core.MintsHelper, Iso: psi4.core.Matrix, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    N^5 ao to mo transfrom, in memory

  `nbf`(self: psi4.core.MintsHelper) → int

    Returns the number of basis functions

  `one_electron_integrals`(self: psi4.core.MintsHelper) → None

    Standard one-electron integrals

  `overlap_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative overlap integrals

  `perturb_grad`(*args, **kwargs)

    Overloaded function.

    1. perturb_grad(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) -> psi4.core.Matrix

    First nuclear derivative perturb integrals

    2. perturb_grad(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: float, arg2: float, arg3: float) -> psi4.core.Matrix

    First nuclear derivative perturb integrals

  `petite_list`(self: psi4.core.MintsHelper) → psi::PetiteList

    Returns petite list, which transforms AO basis functions to SO’s

  `petite_list1`(self: psi4.core.MintsHelper, include_pure_transform: bool) → psi::PetiteList

    Returns petite list which transforms AO basis functions to SO’s, setting argument to true is for Cartesian basis, false is for Spherical Harmonic basis

  `play`(self: psi4.core.MintsHelper) → None

    play function

  `potential_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative potential integrals

  `set_print`(self: psi4.core.MintsHelper, arg0: int) → None

    Sets the print level

  `set_rel_basisset`(self: psi4.core.MintsHelper, rel_basis: psi::BasisSet) → None

    Sets the relativistic basis set

  `so_angular_momentum`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO angular momentum integrals

  `so_dipole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO dipole integrals

  `so_dkh`(self: psi4.core.MintsHelper, arg0: int) → psi4.core.Matrix

    SO dkh integrals

  `so_ecp`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis effective core potential integrals.

  `so_kinetic`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis kinetic integrals

  `so_nabla`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO nabla integrals

  `so_overlap`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis overlap integrals

  `so_potential`(self: psi4.core.MintsHelper, include_perturbations: bool=True) → psi4.core.Matrix

    SO basis potential integrals

  `so_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO quadrupole integrals

  `so_traceless_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO traceless quadrupole integrals

  `sobasisset`(self: psi4.core.MintsHelper) → psi::SOBasisSet

    Returns the SO basis set being used

  `ao_3coverlap`(*args, **kwargs)

    Overloaded function.

    1. ao_3coverlap(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    3 Center overlap integrals

    2. ao_3coverlap(self: psi4.core.MintsHelper, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet) -> psi4.core.Matrix

    3 Center overalp integrals

  `ao_angular_momentum`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO angular momentum integrals

  `ao_dipole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO dipole integrals

  `ao_dkh`(self: psi4.core.MintsHelper, arg0: int) → psi4.core.Matrix

    AO dkh integrals

  `ao_ecp`(*args, **kwargs)

    Overloaded function.

    1. ao_ecp(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis effective core potential integrals.

    2. ao_ecp(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO basis effective core potential integrals.

  `ao_efp_multipole_potential`(self: psi4.core.MintsHelper, origin: List[float]=[0.0, 0.0, 0.0], deriv: int=0) → List[psi4.core.Matrix]

    Vector AO EFP multipole integrals

  `ao_erf_eri`(self: psi4.core.MintsHelper, omega: float, factory: psi4.core.IntegralFactory=None) → psi4.core.Matrix

    AO ERF integrals

  `ao_eri`(*args, **kwargs)

    Overloaded function.

    1. ao_eri(self: psi4.core.MintsHelper, factory: psi4.core.IntegralFactory=None) -> psi4.core.Matrix

    AO ERI integrals

    2. ao_eri(self: psi4.core.MintsHelper, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO ERI integrals

  `ao_eri_shell`(self: psi4.core.MintsHelper, M: int, N: int, P: int, Q: int) → psi4.core.Matrix

    AO ERI Shell

  `ao_f12`(*args, **kwargs)

    Overloaded function.

    1. ao_f12(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 integrals

    2. ao_f12(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 integrals

  `ao_f12_double_commutator`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) → psi4.core.Matrix

    AO F12 double commutator integrals

  `ao_f12_scaled`(*args, **kwargs)

    Overloaded function.

    1. ao_f12_scaled(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 intgerals

    2. ao_f12_scaled(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 intgerals

  `ao_f12_squared`(*args, **kwargs)

    Overloaded function.

    1. ao_f12_squared(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) -> psi4.core.Matrix

    AO F12 squared integrals

    2. ao_f12_squared(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, bs1: psi::BasisSet, bs2: psi::BasisSet, bs3: psi::BasisSet, bs4: psi::BasisSet) -> psi4.core.Matrix

    AO F12 squared integrals

  `ao_f12g12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor) → psi4.core.Matrix

    AO F12G12 integrals

  `ao_kinetic`(*args, **kwargs)

    Overloaded function.

    1. ao_kinetic(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis kinetic integrals

    2. ao_kinetic(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis kinetic integrals

  `ao_nabla`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO nabla integrals

  `ao_oei_deriv1`(self: psi4.core.MintsHelper, arg0: str, arg1: int) → List[psi4.core.Matrix]

    Gradient of AO basis OEI integrals: returns (3 * natoms) matrices

  `ao_oei_deriv2`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: int) → List[psi4.core.Matrix]

    Hessian of AO basis OEI integrals: returns (3 * natoms)^2 matrices

  `ao_overlap`(*args, **kwargs)

    Overloaded function.

    1. ao_overlap(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO basis overlap integrals

    2. ao_overlap(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis overlap integrals

  `ao_potential`(*args, **kwargs)

    Overloaded function.

    1. ao_potential(self: psi4.core.MintsHelper) -> psi4.core.Matrix

    AO potential integrals

    2. ao_potential(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet) -> psi4.core.Matrix

    AO mixed basis potential integrals

  `ao_pvp`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    AO pvp integrals

  `ao_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO quadrupole integrals

  `ao_tei_deriv1`(self: psi4.core.MintsHelper, atom: int, omega: float=0.0, factory: psi4.core.IntegralFactory=None) → List[psi4.core.Matrix]

    Gradient of AO basis TEI integrals: returns (3 * natoms) matrices

  `ao_tei_deriv2`(self: psi4.core.MintsHelper, arg0: int, arg1: int) → List[psi4.core.Matrix]

    Hessian of AO basis TEI integrals: returns (3 * natoms)^2 matrices

  `ao_traceless_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector AO traceless quadrupole integrals

  `basisset`(self: psi4.core.MintsHelper) → psi::BasisSet

    Returns the basis set being used

  `cdsalcs`(self: psi4.core.MintsHelper, arg0: int, arg1: bool, arg2: bool) → psi4.core.CdSalcList

    Returns a CdSalcList object

  `core_hamiltonian_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative T + V + Perturb integrals

  `dipole_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative dipole integrals

  `electric_field`(self: psi4.core.MintsHelper, origin: List[float]=[0.0, 0.0, 0.0], deriv: int=0) → List[psi4.core.Matrix]

    Vector electric field integrals

  `factory`(self: psi4.core.MintsHelper) → psi4.core.MatrixFactory

    Returns the Matrix factory being used

  `integral`(self: psi4.core.MintsHelper) → psi4.core.IntegralFactory

    Integral factory being used

  `integrals`(self: psi4.core.MintsHelper) → None

    Molecular integrals

  `integrals_erf`(self: psi4.core.MintsHelper, w: float=-1.0) → None

    ERF integrals

  `integrals_erfc`(self: psi4.core.MintsHelper, w: float=-1.0) → None

    ERFC integrals

  `kinetic_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative kinetic integrals

  `mo_erf_eri`(self: psi4.core.MintsHelper, omega: float, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO ERFC Omega Integrals

  `mo_eri`(self: psi4.core.MintsHelper, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO ERI Integrals. Pass appropriate MO coefficients

  `mo_f12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 Integrals

  `mo_f12_double_commutator`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 double commutator integrals

  `mo_f12_squared`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12 squared integrals

  `mo_f12g12`(self: psi4.core.MintsHelper, corr: psi::CorrelationFactor, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    MO F12G12 integrals

  `mo_oei_deriv1`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix) → List[psi4.core.Matrix]

    Gradient of MO basis OEI integrals: returns (3 * natoms) matrices

  `mo_oei_deriv2`(self: psi4.core.MintsHelper, arg0: str, arg1: int, arg2: int, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → List[psi4.core.Matrix]

    Hessian of MO basis OEI integrals: returns (3 * natoms)^2 matrices

  `mo_spin_eri`(self: psi4.core.MintsHelper, C1: psi4.core.Matrix, C2: psi4.core.Matrix) → psi4.core.Matrix

    Symmetric MO Spin ERI Integrals

  `mo_tei_deriv1`(self: psi4.core.MintsHelper, arg0: int, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → List[psi4.core.Matrix]

    Gradient of MO basis TEI integrals: returns (3 * natoms) matrices

  `mo_tei_deriv2`(self: psi4.core.MintsHelper, arg0: int, arg1: int, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix, arg5: psi4.core.Matrix) → List[psi4.core.Matrix]

    Hessian of MO basis TEI integrals: returns (3 * natoms)^2 matrices

  `mo_transform`(self: psi4.core.MintsHelper, Iso: psi4.core.Matrix, C1: psi4.core.Matrix, C2: psi4.core.Matrix, C3: psi4.core.Matrix, C4: psi4.core.Matrix) → psi4.core.Matrix

    N^5 ao to mo transfrom, in memory

  `nbf`(self: psi4.core.MintsHelper) → int

    Returns the number of basis functions

  `one_electron_integrals`(self: psi4.core.MintsHelper) → None

    Standard one-electron integrals

  `overlap_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative overlap integrals

  `perturb_grad`(*args, **kwargs)

    Overloaded function.

    1. perturb_grad(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) -> psi4.core.Matrix

    First nuclear derivative perturb integrals

    2. perturb_grad(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: float, arg2: float, arg3: float) -> psi4.core.Matrix

    First nuclear derivative perturb integrals

  `petite_list`(self: psi4.core.MintsHelper) → psi::PetiteList

    Returns petite list, which transforms AO basis functions to SO’s

  `petite_list1`(self: psi4.core.MintsHelper, include_pure_transform: bool) → psi::PetiteList

    Returns petite list which transforms AO basis functions to SO’s, setting argument to true is for Cartesian basis, false is for Spherical Harmonic basis

  `play`(self: psi4.core.MintsHelper) → None

    play function

  `potential_grad`(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix) → psi4.core.Matrix

    First nuclear derivative potential integrals

  `set_print`(self: psi4.core.MintsHelper, arg0: int) → None

    Sets the print level

  `set_rel_basisset`(self: psi4.core.MintsHelper, rel_basis: psi::BasisSet) → None

    Sets the relativistic basis set

  `so_angular_momentum`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO angular momentum integrals

  `so_dipole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO dipole integrals

  `so_dkh`(self: psi4.core.MintsHelper, arg0: int) → psi4.core.Matrix

    SO dkh integrals

  `so_ecp`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis effective core potential integrals.

  `so_kinetic`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis kinetic integrals

  `so_nabla`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO nabla integrals

  `so_overlap`(self: psi4.core.MintsHelper) → psi4.core.Matrix

    SO basis overlap integrals

  `so_potential`(self: psi4.core.MintsHelper, include_perturbations: bool=True) → psi4.core.Matrix

    SO basis potential integrals

  `so_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO quadrupole integrals

  `so_traceless_quadrupole`(self: psi4.core.MintsHelper) → List[psi4.core.Matrix]

    Vector SO traceless quadrupole integrals

  `sobasisset`(self: psi4.core.MintsHelper) → psi::SOBasisSet

    Returns the SO basis set being used