OneBodyAOInt¶
- class psi4.core.OneBodyAOInt¶
Bases:
pybind11_object
Basis class for all one-electron integrals
Attributes Summary
The basis set on center one
The basis set on center one
The basis set on center two
The origin about which the one body ints are being computed.
Methods Summary
compute
(self, arg0)Compute all integrals over both basis sets, and store them in the provided matrix
compute_shell
(self, arg0, arg1)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(self: psi4.core.OneBodyAOInt, arg0: List[psi4.core.Matrix]) None ¶
Compute all integrals over both basis sets, and store them in the provided matrix
- compute_shell(self: psi4.core.OneBodyAOInt, arg0: int, arg1: int) None ¶
Compute integrals between basis functions in the given shell pair