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Delete ERISieve Py-side
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davpoolechem committed Aug 8, 2023
1 parent 532f1e6 commit 6497c29
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38 changes: 0 additions & 38 deletions psi4/driver/p4util/python_helpers.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,6 @@
- JK (constructor)
- VBase (grid)
- OEProp (avail prop)
- ERISieve (constructor)
"""

__all__ = [
Expand Down Expand Up @@ -1559,40 +1558,3 @@ def _core_triplet(A, B, C, transA, transB, transC):
core.Matrix.triplet = staticmethod(_core_triplet)


@staticmethod
def _core_erisieve_build(
orbital_basis: core.BasisSet,
cutoff: float = 0.0,
do_csam: bool = False
) -> core.ERISieve:
"""
This function previously constructed a Psi4 ERISieve object from an input basis set, with an optional cutoff threshold for
ERI screening and an optional input to enable CSAM screening (over Schwarz screening).
However, as the ERISieve class was removed from Psi4 in v1.9, the function now throws with an UpgradeHelper
exception, and lets the user know to use TwoBodyAOInt instead.
Parameters
----------
orbital_basis
Basis set to use in the ERISieve object.
cutoff
Integral cutoff threshold to use for Schwarz/CSAM screening. Defaults to 0.0, disabling screening entirely.
do_csam
Use CSAM screening? If True, CSAM screening is used; else, Schwarz screening is used. By default,
Schwarz screening is utilized.
Returns
-------
ERISieve
Initialized ERISieve object.
Example
-------
>>> sieve = psi4.core.ERISieve.build(bas, cutoff, csam)
"""

raise UpgradeHelper("ERISieve", "TwoBodyAOInt", 1.8, " The ERISieve class has been removed and replaced with the TwoBodyAOInt class. ERISieve.build(orbital_basis, cutoff, do_csam) can be replaced with the command sequence factory = psi4.core.IntegralFactory(basis); factory.eri(0).")


core.ERISieve.build = _core_erisieve_build

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