MintsHelper

class psi4.core.MintsHelper

Bases: object

Computes integrals

Methods Summary

ao_3coverlap(*args, **kwargs) Overloaded function.
ao_angular_momentum(…) Vector AO angular momentum integrals
ao_dipole(…) Vector AO dipole integrals
ao_dkh((self: psi4.core.MintsHelper, …) AO dkh integrals
ao_ecp(*args, **kwargs) Overloaded function.
ao_efp_multipole_potential(…) Vector AO EFP multipole integrals
ao_erf_eri((self: psi4.core.MintsHelper, …) AO ERF integrals
ao_eri(*args, **kwargs) Overloaded function.
ao_eri_shell((self: psi4.core.MintsHelper, …) AO ERI Shell
ao_f12(*args, **kwargs) Overloaded function.
ao_f12_double_commutator(…) AO F12 double commutator integrals
ao_f12_scaled(*args, **kwargs) Overloaded function.
ao_f12_squared(*args, **kwargs) Overloaded function.
ao_f12g12((self: psi4.core.MintsHelper, …) AO F12G12 integrals
ao_kinetic(*args, **kwargs) Overloaded function.
ao_nabla(…) Vector AO nabla integrals
ao_overlap(*args, **kwargs) Overloaded function.
ao_potential(*args, **kwargs) Overloaded function.
ao_pvp(…) AO pvp integrals
ao_quadrupole(…) Vector AO quadrupole integrals
ao_traceless_quadrupole(…) Vector AO traceless quadrupole integrals
basisset(…) Returns the basis set being used
cdsalcs((self: psi4.core.MintsHelper, …) Returns a CdSalcList object
electric_field((self: psi4.core.MintsHelper, …) Vector electric field integrals
factory(…) Returns the Matrix factory being used
integral(…) Integral factory being used
integrals((self: psi4.core.MintsHelper) -> None) Molecular integrals
integrals_erf((self: psi4.core.MintsHelper, …) ERF integrals
integrals_erfc((self: psi4.core.MintsHelper, …) ERFC integrals
mo_erf_eri((self: psi4.core.MintsHelper, …) MO ERFC Omega Integrals
mo_eri((self: psi4.core.MintsHelper, …) MO ERI Integrals.
mo_f12((self: psi4.core.MintsHelper, …) MO F12 Integrals
mo_f12_double_commutator(…) MO F12 double commutator integrals
mo_f12_squared((self: psi4.core.MintsHelper, …) MO F12 squared integrals
mo_f12g12((self: psi4.core.MintsHelper, …) MO F12G12 integrals
mo_spin_eri((self: psi4.core.MintsHelper, …) Symmetric MO Spin ERI Integrals
mo_transform((self: psi4.core.MintsHelper, …) N^5 ao to mo transfrom, in memory
nbf((self: psi4.core.MintsHelper) -> int) Returns the number of basis functions
one_electron_integrals(…) Standard one-electron integrals
petite_list(…) Returns petite list, which transforms AO basis functions to SO’s
petite_list1((self: psi4.core.MintsHelper, …) 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
set_print((self: psi4.core.MintsHelper, …) Sets the print level
set_rel_basisset(…) Sets the relativistic basis set
so_angular_momentum(…) Vector SO angular momentum integrals
so_dipole(…) Vector SO dipole integrals
so_dkh((self: psi4.core.MintsHelper, …) SO dkh integrals
so_ecp(…) SO basis effective core potential integrals.
so_kinetic(…) SO basis kinetic integrals
so_nabla(…) Vector SO nabla integrals
so_overlap(…) SO basis overlap integrals
so_potential((self: psi4.core.MintsHelper, …) SO basis potential integrals
so_quadrupole(…) Vector SO quadrupole integrals
so_traceless_quadrupole(…) Vector SO traceless quadrupole integrals
sobasisset(…) 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

  1. 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.

  1. 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) → psi4.core.Matrix

AO ERF integrals

ao_eri(*args, **kwargs)

Overloaded function.

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

AO ERI integrals

  1. 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

  1. 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

  1. 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

  1. 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

  1. 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_overlap(*args, **kwargs)

Overloaded function.

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

AO basis overlap integrals

  1. 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

  1. 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_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

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

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

Symmetric MO Spin ERI Integrals

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

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

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, arg0: bool) → 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

  1. 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.

  1. 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) → psi4.core.Matrix

AO ERF integrals

ao_eri(*args, **kwargs)

Overloaded function.

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

AO ERI integrals

  1. 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

  1. 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

  1. 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

  1. 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

  1. 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_overlap(*args, **kwargs)

Overloaded function.

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

AO basis overlap integrals

  1. 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

  1. 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_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

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

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

Symmetric MO Spin ERI Integrals

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

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

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, arg0: bool) → 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