OneBodyAOInt

class psi4.core.OneBodyAOInt

Bases: object

Basis class for all one-electron integrals

Attributes Summary

basis The basis set on center one
basis1 The basis set on center one
basis2 The basis set on center two
origin The origin about which the one body ints are being computed.

Methods Summary

compute_shell((self: psi4.core.OneBodyAOInt, …) Compute integrals between basis functions in the given shell pair

Attributes Documentation

basis

The basis set on center one

basis1

The basis set on center one

basis2

The basis set on center two

origin

The origin about which the one body ints are being computed.

Methods Documentation

compute_shell(self: psi4.core.OneBodyAOInt, arg0: int, arg1: int) → None

Compute integrals between basis functions in the given shell pair

basis

The basis set on center one

basis1

The basis set on center one

basis2

The basis set on center two

compute_shell(self: psi4.core.OneBodyAOInt, arg0: int, arg1: int) → None

Compute integrals between basis functions in the given shell pair

origin

The origin about which the one body ints are being computed.