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Add separate private qchem functions for external backends #5553

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merged 12 commits into from
Jun 5, 2024
Merged

Add separate private qchem functions for external backends #5553

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0ad2459
[skip ci] sync with master
soranjh May 30, 2024
5b20f42
[skip ci] fix pylint
soranjh May 30, 2024
301eb19
change file name
soranjh May 30, 2024
68f0e8c
change file name in test
soranjh May 30, 2024
e029ca4
fix pylint
soranjh May 30, 2024
d534a8c
remove duplicated import
soranjh May 31, 2024
9bb7724
remove old file
soranjh May 31, 2024
6367102
[skip ci] update imports
soranjh May 31, 2024
d311da1
Merge branch 'master' into qchem_separate_openfermion
soranjh May 31, 2024
7087e76
Merge branch 'master' into qchem_separate_openfermion
soranjh Jun 5, 2024
28c7fcd
add docstring
soranjh Jun 5, 2024
f9aea69
update changelog
soranjh Jun 5, 2024
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12 changes: 8 additions & 4 deletions pennylane/qchem/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,13 @@
from .dipole import dipole_integrals, dipole_moment, fermionic_dipole
from .factorization import basis_rotation, factorize
from .givens_decomposition import givens_decomposition
from .hamiltonian import diff_hamiltonian, electron_integrals, fermionic_hamiltonian
from .hartree_fock import hf_energy, nuclear_energy, scf
from .hamiltonian import (
electron_integrals,
fermionic_hamiltonian,
diff_hamiltonian,
molecular_hamiltonian,
)
from .hartree_fock import scf, nuclear_energy, hf_energy
from .integrals import (
attraction_integral,
contracted_norm,
Expand Down Expand Up @@ -50,11 +55,10 @@
from .molecule import Molecule
from .number import particle_number
from .observable_hf import fermionic_observable, qubit_observable
from .openfermion_obs import (
from .openfermion_pyscf import (
decompose,
dipole_of,
meanfield,
molecular_hamiltonian,
observable,
one_particle,
two_particle,
Expand Down
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