psi4.core.MintsHelper¶

class psi4.core.MintsHelper¶

Bases: object

docstring

Methods Summary

`ao_3coverlap`(args, *kwargs)	Overloaded function.
`ao_angular_momentum`(...)	docstring
`ao_dipole`(...)	docstring
`ao_dkh`((self: psi4.core.MintsHelper, ...)	docstring
`ao_erf_eri`((self: psi4.core.MintsHelper, ...)	docstring
`ao_eri`(args, *kwargs)	Overloaded function.
`ao_eri_shell`((self: psi4.core.MintsHelper, ...)	docstring
`ao_f12`(args, *kwargs)	Overloaded function.
`ao_f12_double_commutator`(...)	docstring
`ao_f12_scaled`(args, *kwargs)	Overloaded function.
`ao_f12_squared`(args, *kwargs)	Overloaded function.
`ao_f12g12`((self: psi4.core.MintsHelper, ...)	docstring
`ao_kinetic`(args, *kwargs)	Overloaded function.
`ao_nabla`(...)	docstring
`ao_overlap`(args, *kwargs)	Overloaded function.
`ao_potential`(args, *kwargs)	Overloaded function.
`ao_pvp`(...)	docstring
`basisset`(...)	docstring
`cdsalcs`((self: psi4.core.MintsHelper, ...)	docstring
`factory`(...)	docstring
`integral`(...)	docstring
`integrals`((self: psi4.core.MintsHelper) -> None)	docstring
`integrals_erf`((self: psi4.core.MintsHelper, ...)	docstring
`integrals_erfc`((self: psi4.core.MintsHelper, ...)	docstring
`mo_erf_eri`((self: psi4.core.MintsHelper, ...)	docstring
`mo_eri`((self: psi4.core.MintsHelper, ...)	docstring
`mo_f12`((self: psi4.core.MintsHelper, ...)	docstring
`mo_f12_double_commutator`(...)	docstring
`mo_f12_squared`((self: psi4.core.MintsHelper, ...)	docstring
`mo_f12g12`((self: psi4.core.MintsHelper, ...)	docstring
`mo_spin_eri`((self: psi4.core.MintsHelper, ...)	docstring
`mo_transform`((self: psi4.core.MintsHelper, ...)	docstring
`nbf`((self: psi4.core.MintsHelper) -> int)	docstring
`one_electron_integrals`(args, *kwargs)	Overloaded function.
`petite_list`(...)	docstring
`petite_list1`((self: psi4.core.MintsHelper, ...)	docstring
`play`((self: psi4.core.MintsHelper) -> None)	docstring
`set_print`((self: psi4.core.MintsHelper, ...)	docstring
`set_rel_basisset`(...)	docstring
`so_angular_momentum`(...)	docstring
`so_dipole`(...)	docstring
`so_dkh`((self: psi4.core.MintsHelper, ...)	docstring
`so_kinetic`(...)	docstring
`so_nabla`(...)	docstring
`so_overlap`(...)	docstring
`so_potential`((self: psi4.core.MintsHelper, ...)	docstring
`so_quadrupole`(...)	docstring
`so_traceless_quadrupole`(...)	docstring
`sobasisset`(...)	docstring

Methods Documentation

ao_3coverlap(*args, **kwargs)¶

Overloaded function.

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

docstring

ao_3coverlap(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet, arg2: psi::BasisSet) -> psi4.core.Matrix

docstring

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

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

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

ao_erf_eri(self: psi4.core.MintsHelper, arg0: float) → psi4.core.Matrix¶: docstring

ao_eri(*args, **kwargs)¶

Overloaded function.

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

docstring

ao_eri(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_eri_shell(self: psi4.core.MintsHelper, arg0: int, arg1: int, arg2: int, arg3: int) → psi4.core.Matrix¶: docstring

ao_f12(*args, **kwargs)¶

Overloaded function.

ao_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12_double_commutator(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) → psi4.core.Matrix¶: docstring

ao_f12_scaled(*args, **kwargs)¶

Overloaded function.

ao_f12_scaled(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12_scaled(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12_squared(*args, **kwargs)¶

Overloaded function.

ao_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12g12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) → psi4.core.Matrix¶: docstring

ao_kinetic(*args, **kwargs)¶

Overloaded function.

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

docstring

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

docstring

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

ao_overlap(*args, **kwargs)¶

Overloaded function.

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

docstring

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

docstring

ao_potential(*args, **kwargs)¶

Overloaded function.

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

docstring

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

docstring

ao_pvp(self: psi4.core.MintsHelper) → psi4.core.Matrix¶: docstring

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

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

factory(self: psi4.core.MintsHelper) → psi4.core.MatrixFactory¶: docstring

integral(self: psi4.core.MintsHelper) → psi4.core.IntegralFactory¶: docstring

integrals(self: psi4.core.MintsHelper) → None¶: docstring

integrals_erf(self: psi4.core.MintsHelper, arg0: float) → None¶: docstring

integrals_erfc(self: psi4.core.MintsHelper, arg0: float) → None¶: docstring

mo_erf_eri(self: psi4.core.MintsHelper, arg0: float, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_eri(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_f12_double_commutator(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_f12g12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_spin_eri(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

mo_transform(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix¶: docstring

nbf(self: psi4.core.MintsHelper) → int¶: docstring

one_electron_integrals(*args, **kwargs)¶

Overloaded function.

one_electron_integrals(self: psi4.core.MintsHelper) -> None

docstring

one_electron_integrals(self: psi4.core.MintsHelper) -> None

docstring

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

petite_list1(self: psi4.core.MintsHelper, arg0: bool) → psi::PetiteList¶: docstring

play(self: psi4.core.MintsHelper) → None¶: docstring

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

set_rel_basisset(self: psi4.core.MintsHelper, arg0: psi::BasisSet) → None¶: docstring

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

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

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

so_kinetic(self: psi4.core.MintsHelper) → psi4.core.Matrix¶: docstring

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

so_overlap(self: psi4.core.MintsHelper) → psi4.core.Matrix¶: docstring

so_potential(self: psi4.core.MintsHelper, arg0: bool) → psi4.core.Matrix¶: docstring

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

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

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

ao_3coverlap(*args, **kwargs)

Overloaded function.

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

docstring

ao_3coverlap(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet, arg2: psi::BasisSet) -> psi4.core.Matrix

docstring

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

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

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

ao_erf_eri(self: psi4.core.MintsHelper, arg0: float) → psi4.core.Matrix: docstring

ao_eri(*args, **kwargs)

Overloaded function.

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

docstring

ao_eri(self: psi4.core.MintsHelper, arg0: psi::BasisSet, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_eri_shell(self: psi4.core.MintsHelper, arg0: int, arg1: int, arg2: int, arg3: int) → psi4.core.Matrix: docstring

ao_f12(*args, **kwargs)

Overloaded function.

ao_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12_double_commutator(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) → psi4.core.Matrix: docstring

ao_f12_scaled(*args, **kwargs)

Overloaded function.

ao_f12_scaled(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12_scaled(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12_squared(*args, **kwargs)

Overloaded function.

ao_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) -> psi4.core.Matrix

docstring

ao_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi::BasisSet, arg2: psi::BasisSet, arg3: psi::BasisSet, arg4: psi::BasisSet) -> psi4.core.Matrix

docstring

ao_f12g12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor) → psi4.core.Matrix: docstring

ao_kinetic(*args, **kwargs)

Overloaded function.

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

docstring

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

docstring

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

ao_overlap(*args, **kwargs)

Overloaded function.

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

docstring

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

docstring

ao_potential(*args, **kwargs)

Overloaded function.

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

docstring

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

docstring

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

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

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

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

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

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

integrals_erf(self: psi4.core.MintsHelper, arg0: float) → None: docstring

integrals_erfc(self: psi4.core.MintsHelper, arg0: float) → None: docstring

mo_erf_eri(self: psi4.core.MintsHelper, arg0: float, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_eri(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_f12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_f12_double_commutator(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_f12_squared(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_f12g12(self: psi4.core.MintsHelper, arg0: psi::CorrelationFactor, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_spin_eri(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix) → psi4.core.Matrix: docstring

mo_transform(self: psi4.core.MintsHelper, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix, arg2: psi4.core.Matrix, arg3: psi4.core.Matrix, arg4: psi4.core.Matrix) → psi4.core.Matrix: docstring

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

one_electron_integrals(*args, **kwargs)

Overloaded function.

one_electron_integrals(self: psi4.core.MintsHelper) -> None

docstring

one_electron_integrals(self: psi4.core.MintsHelper) -> None

docstring

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

petite_list1(self: psi4.core.MintsHelper, arg0: bool) → psi::PetiteList: docstring

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

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

set_rel_basisset(self: psi4.core.MintsHelper, arg0: psi::BasisSet) → None: docstring

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

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

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

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

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

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

so_potential(self: psi4.core.MintsHelper, arg0: bool) → psi4.core.Matrix: docstring

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

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

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