# IntegralTransform

class `psi4.core.``IntegralTransform`

  Bases: `pybind11_builtins.pybind11_object`

  IntegralTransform transforms one- and two-electron integrals within general spaces

  Methods Summary

  `DPD_ID`(*args, **kwargs) | Overloaded function.
  `alpha_corr_to_pitzer`(self) |
  `backtransform_density`(self) |
  `backtransform_tpdm_restricted`(self) |
  `backtransform_tpdm_unrestricted`(self) |
  `beta_corr_to_pitzer`(self) |
  `compute_fock_like_matrices`(self, Hcore, Cmats) |
  `generate_oei`(self) | docstring
  `get_dpd_id`(self) |
  `get_frozen_core_energy`(self) |
  `get_keep_dpd_so_ints`(self) |
  `get_keep_ht_ints`(self) |
  `get_keep_iwl_so_ints`(self) |
  `get_memory`(self) |
  `get_print`(self) |
  `get_psio`(self) |
  `get_tei_already_presorted`(self) |
  `initialize`(self) | Initialize an IntegralTransform
  `nirrep`(self) |
  `presort_so_tei`(self) | docstring
  `print_dpd_lookup`(self) |
  `reset_so_int`(self) |
  `set_aa_int_name`(self, arg0) |
  `set_ab_int_name`(self, arg0) |
  `set_bb_int_name`(self, arg0) |
  `set_dpd_id`(self, arg0) |
  `set_dpd_int_file`(self, arg0) |
  `set_keep_dpd_so_ints`(self, arg0) |
  `set_keep_ht_ints`(self, arg0) |
  `set_keep_iwl_so_ints`(self, arg0) |
  `set_memory`(self, arg0) |
  `set_orbitals`(self, arg0) |
  `set_print`(self, arg0) |
  `set_psio`(self, arg0) |
  `set_so_tei_file`(self, arg0) |
  `set_tei_already_presorted`(self, arg0) |
  `set_tpdm_already_presorted`(self, arg0) |
  `set_write_dpd_so_tpdm`(self, arg0) |
  `transform_oei`(self, s1, s2, labels) | Transform one-electron integrals
  `transform_tei`(self, s1, s2, s3, s4, half_trans) | Transform two-electron integrals
  `transform_tei_first_half`(self, s1, s2) | First half-transform two-electron integrals
  `transform_tei_second_half`(self, s1, s2, s3, s4) | Second half-transform two-electron integrals
  `update_orbitals`(self) | docstring

  Methods Documentation

  `DPD_ID`(*args, **kwargs)

    Overloaded function.

    1. DPD_ID(self: psi4.core.IntegralTransform, c: str) -> int

    docstring

    2. DPD_ID(self: psi4.core.IntegralTransform, str: str) -> int

    docstring

    3. DPD_ID(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, spin: psi4.core.IntegralTransform.SpinType, pack: bool) -> int

    docstring

  `alpha_corr_to_pitzer`(self: psi4.core.IntegralTransform) → int
  `backtransform_density`(self: psi4.core.IntegralTransform) → None
  `backtransform_tpdm_restricted`(self: psi4.core.IntegralTransform) → None
  `backtransform_tpdm_unrestricted`(self: psi4.core.IntegralTransform) → None
  `beta_corr_to_pitzer`(self: psi4.core.IntegralTransform) → int
  `compute_fock_like_matrices`(self: psi4.core.IntegralTransform, Hcore: psi4.core.Matrix, Cmats: List[psi4.core.Matrix]) → List[psi4.core.Matrix]
  `generate_oei`(self: psi4.core.IntegralTransform) → None

    docstring

  `get_dpd_id`(self: psi4.core.IntegralTransform) → int
  `get_frozen_core_energy`(self: psi4.core.IntegralTransform) → float
  `get_keep_dpd_so_ints`(self: psi4.core.IntegralTransform) → bool
  `get_keep_ht_ints`(self: psi4.core.IntegralTransform) → bool
  `get_keep_iwl_so_ints`(self: psi4.core.IntegralTransform) → bool
  `get_memory`(self: psi4.core.IntegralTransform) → int
  `get_print`(self: psi4.core.IntegralTransform) → int
  `get_psio`(self: psi4.core.IntegralTransform) → psi4.core.IO
  `get_tei_already_presorted`(self: psi4.core.IntegralTransform) → bool
  `initialize`(self: psi4.core.IntegralTransform) → None

    Initialize an IntegralTransform

  `nirrep`(self: psi4.core.IntegralTransform) → int
  `presort_so_tei`(self: psi4.core.IntegralTransform) → None

    docstring

  `print_dpd_lookup`(self: psi4.core.IntegralTransform) → None
  `reset_so_int`(self: psi4.core.IntegralTransform) → None
  `set_aa_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_ab_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_bb_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_dpd_id`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_dpd_int_file`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_keep_dpd_so_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_keep_ht_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_keep_iwl_so_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_memory`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_orbitals`(self: psi4.core.IntegralTransform, arg0: psi4.core.Matrix) → None
  `set_print`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_psio`(self: psi4.core.IntegralTransform, arg0: psi4.core.IO) → None
  `set_so_tei_file`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_tei_already_presorted`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_tpdm_already_presorted`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_write_dpd_so_tpdm`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `transform_oei`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, labels: List[str[4]]) → None

    Transform one-electron integrals

  `transform_tei`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, s3: psi4.core.MOSpace, s4: psi4.core.MOSpace, half_trans: psi4.core.IntegralTransform.HalfTrans=HalfTrans.MakeAndNuke) → None

    Transform two-electron integrals

  `transform_tei_first_half`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace) → None

    First half-transform two-electron integrals

  `transform_tei_second_half`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, s3: psi4.core.MOSpace, s4: psi4.core.MOSpace) → None

    Second half-transform two-electron integrals

  `update_orbitals`(self: psi4.core.IntegralTransform) → None

    docstring

  `DPD_ID`(*args, **kwargs)

    Overloaded function.

    1. DPD_ID(self: psi4.core.IntegralTransform, c: str) -> int

    docstring

    2. DPD_ID(self: psi4.core.IntegralTransform, str: str) -> int

    docstring

    3. DPD_ID(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, spin: psi4.core.IntegralTransform.SpinType, pack: bool) -> int

    docstring

  class `FrozenOrbitals`

    Bases: `pybind11_builtins.pybind11_object`

    `None` = FrozenOrbitals.None
    `OccAndVir` = FrozenOrbitals.OccAndVir
    `OccOnly` = FrozenOrbitals.OccOnly
    `VirOnly` = FrozenOrbitals.VirOnly
  class `HalfTrans`

    Bases: `pybind11_builtins.pybind11_object`

    `MakeAndKeep` = HalfTrans.MakeAndKeep
    `MakeAndNuke` = HalfTrans.MakeAndNuke
    `ReadAndKeep` = HalfTrans.ReadAndKeep
    `ReadAndNuke` = HalfTrans.ReadAndNuke
  class `MOOrdering`

    Bases: `pybind11_builtins.pybind11_object`

    `PitzerOrder` = MOOrdering.PitzerOrder
    `QTOrder` = MOOrdering.QTOrder
  class `OutputType`

    Bases: `pybind11_builtins.pybind11_object`

    `DPDOnly` = OutputType.DPDOnly
    `IWLAndDPD` = OutputType.IWLAndDPD
    `IWLOnly` = OutputType.IWLOnly
  class `SpinType`

    Bases: `pybind11_builtins.pybind11_object`

    `Alpha` = SpinType.Alpha
    `Beta` = SpinType.Beta
  class `TransformationType`

    Bases: `pybind11_builtins.pybind11_object`

    `Restricted` = TransformationType.Restricted
    `SemiCanonical` = TransformationType.SemiCanonical
    `Unrestricted` = TransformationType.Unrestricted
  `alpha_corr_to_pitzer`(self: psi4.core.IntegralTransform) → int
  `backtransform_density`(self: psi4.core.IntegralTransform) → None
  `backtransform_tpdm_restricted`(self: psi4.core.IntegralTransform) → None
  `backtransform_tpdm_unrestricted`(self: psi4.core.IntegralTransform) → None
  `beta_corr_to_pitzer`(self: psi4.core.IntegralTransform) → int
  `compute_fock_like_matrices`(self: psi4.core.IntegralTransform, Hcore: psi4.core.Matrix, Cmats: List[psi4.core.Matrix]) → List[psi4.core.Matrix]
  `generate_oei`(self: psi4.core.IntegralTransform) → None

    docstring

  `get_dpd_id`(self: psi4.core.IntegralTransform) → int
  `get_frozen_core_energy`(self: psi4.core.IntegralTransform) → float
  `get_keep_dpd_so_ints`(self: psi4.core.IntegralTransform) → bool
  `get_keep_ht_ints`(self: psi4.core.IntegralTransform) → bool
  `get_keep_iwl_so_ints`(self: psi4.core.IntegralTransform) → bool
  `get_memory`(self: psi4.core.IntegralTransform) → int
  `get_print`(self: psi4.core.IntegralTransform) → int
  `get_psio`(self: psi4.core.IntegralTransform) → psi4.core.IO
  `get_tei_already_presorted`(self: psi4.core.IntegralTransform) → bool
  `initialize`(self: psi4.core.IntegralTransform) → None

    Initialize an IntegralTransform

  `nirrep`(self: psi4.core.IntegralTransform) → int
  `presort_so_tei`(self: psi4.core.IntegralTransform) → None

    docstring

  `print_dpd_lookup`(self: psi4.core.IntegralTransform) → None
  `reset_so_int`(self: psi4.core.IntegralTransform) → None
  `set_aa_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_ab_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_bb_int_name`(self: psi4.core.IntegralTransform, arg0: str) → None
  `set_dpd_id`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_dpd_int_file`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_keep_dpd_so_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_keep_ht_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_keep_iwl_so_ints`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_memory`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_orbitals`(self: psi4.core.IntegralTransform, arg0: psi4.core.Matrix) → None
  `set_print`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_psio`(self: psi4.core.IntegralTransform, arg0: psi4.core.IO) → None
  `set_so_tei_file`(self: psi4.core.IntegralTransform, arg0: int) → None
  `set_tei_already_presorted`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_tpdm_already_presorted`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `set_write_dpd_so_tpdm`(self: psi4.core.IntegralTransform, arg0: bool) → None
  `transform_oei`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, labels: List[str[4]]) → None

    Transform one-electron integrals

  `transform_tei`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, s3: psi4.core.MOSpace, s4: psi4.core.MOSpace, half_trans: psi4.core.IntegralTransform.HalfTrans=HalfTrans.MakeAndNuke) → None

    Transform two-electron integrals

  `transform_tei_first_half`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace) → None

    First half-transform two-electron integrals

  `transform_tei_second_half`(self: psi4.core.IntegralTransform, s1: psi4.core.MOSpace, s2: psi4.core.MOSpace, s3: psi4.core.MOSpace, s4: psi4.core.MOSpace) → None

    Second half-transform two-electron integrals

  `update_orbitals`(self: psi4.core.IntegralTransform) → None

    docstring