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Add corrections to pyscf dipole coeffs #3908

Merged
merged 4 commits into from
Mar 15, 2023
Merged

Add corrections to pyscf dipole coeffs #3908

merged 4 commits into from
Mar 15, 2023

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soranjh
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@soranjh soranjh commented Mar 15, 2023 •
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Context:
The new version of PySCF, 2.2.0, gives slightly different results for the dipole moment coefficients of H2O. The change is in the order of 2e-08 which is not chemically significant but it is enough to break the test_dipole_obs test which has a tolerance of 1e-08 for asserting correctness.

Description of the Change:
This PR adds the correct dipole moment coefficients for H2O obtained with PySCF 2.2.0 to test_dipole_obs.

Benefits:
Reference results are consistent with PySCF 2.2.0 values.

Possible Drawbacks:

Related GitHub Issues:

@soranjh soranjh added the qchem ⚛️ Related to the QChem package label Mar 15, 2023
obliviateandsurrender
obliviateandsurrender approved these changes Mar 15, 2023
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Thanks @soranjh for the quick fix!

doc/releases/changelog-dev.md Outdated Show resolved Hide resolved
@soranjh @obliviateandsurrender
Apply suggestions from code review
c9d2b37 
Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
lillian542
lillian542 approved these changes Mar 15, 2023
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Thanks 🎉

@soranjh soranjh marked this pull request as ready for review March 15, 2023 18:52
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codecov bot commented Mar 15, 2023

Codecov Report

Merging #3908 (56ae7be) into master (8cfbe66) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff           @@
##           master    #3908   +/-   ##
=======================================
  Coverage   99.70%   99.70%           
=======================================
  Files         342      342           
  Lines       29853    29853           
=======================================
  Hits        29766    29766           
  Misses         87       87

Help us with your feedback. Take ten seconds to tell us how you rate us. Have a feature suggestion? Share it here.

@lillian542 lillian542 merged commit 601c5ca into master Mar 15, 2023
@lillian542 lillian542 deleted the qchem_newpyscf_dipole branch March 15, 2023 21:04
mudit2812 pushed a commit that referenced this pull request Mar 20, 2023
@soranjh @obliviateandsurrender
@lillian542 @mudit2812
Add corrections to pyscf dipole coeffs (#3908)
fc66efb 
* add small corrections to pyscf dipole results

* update changelog

* Apply suggestions from code review

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>

* trigger ci

---------

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>
mudit2812 added a commit that referenced this pull request Mar 22, 2023
@mudit2812 @AlbertMitjans
@lillian542 @Qottmann @dwierichs @soranjh @obliviateandsurrender @timmysilv @Jaybsoni @rmoyard @albi3ro
Avoid adding zero-terms to the Hamiltonian in rydberg_drive (#3911)
b583b17 
* ✨ feat (rydberg): Add rydberg_interaction function.

* 🐛 fix (rydberg): Small fixes.

* 🔧 refactor (rydberg): Remove distance.

* ✨ feat (rydberg): Add drive function.

* 🔧 refactor (rydberg): Remove Operator inheritance.

* ✨ feat (ParametrizedHamiltonian): Add __mul__ method.

* ✨ feat (Rydberg): Add phases argument to drive method.

* 📝 docs (Rydberg): Fix docstring.

* 🔧 refactor (Rydberg): Add distance argument.

* 🔧 refactor (Rydberg): Fix units.

* 🔧 refactor (Rydberg): Allow for global drive

* ⏪ revert (Rydberg): Remove callable support in __mul__.

* 🔧 refactor (Rydberg): Make RydbergMachine callable.

* 🔧 refactor (Operator): Take into account batching in dunder methods.

* 🔧 refactor (RydbergMachine): Change file name.

* 🧪 tests (RydbergMachine): Add tests.

* 🧪 tests (RydbergMachine): Add tests.

* 🐛 fix (RydbergMachine): Change wires from None to list before if check.

* 📝 docs (RydbergMachine): Fix docstrings.

* 📝 docs (RydbergMachine): Fix docstrings.

* 📝 docs (RydbergMachine): Fix docstrings.

* 🔧 refactor (RydbergHamiltonian): Make drives standalone functions.

* 🔧 refactor (RydbergHamiltonian): Rename files.

* ✨ feat (RydbergHamiltonian): Add matrix method.

* 🐛 fix (evolve): Small fix.

* ⏪ revert (RydbergHamiltonian): Move functions back inside the RydbergHamiltonian class.

* ⏪ revert (evolve)

* 🔧 refactor (RydbergHamiltonian): Remove inplace usage. Return copy of new class instead.

* 🧪 tests (RydbergHamiltonian): Improve tests.

* 🔧 refactor (RydbergHamiltonian): Refactor class.

* 🐛 fix (rydberg_interaction): Small fix

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🎨 style (RydbergHamiltonian): Raise warning when the wire of a laser field is not present in the Rydberg ensemble.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (RydbergHamiltonian): Add tests.

* ⏪ revert (evolve)

* 🔧 refactor (RydbergHamiltonian): Remove RydbergPulses class.

* 📝 docs (RydbergHamiltonian): Fix docstrings.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (ParametrizedHamiltonian): Add test.

* ✏️ chore (changelog): Fix changelog entry.

* 🧪 tests (Operator): Add tests.

* 📝 docs (RydbergHamiltonian): Add to docs.

* 🧪 tests (RydbergHamiltonian): Improve coverage.

* 📝 docs (RydbergHamiltonian): Add to docs.

* 📝 docs (RydbergHamiltonian): Fix docs rendering.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* 📝 docs (RydbergHamiltonian): Address review comments.

* 📝 docs (RydbergHamiltonian): Address review comments.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* 🧪 tests (RydbergHamiltonian): Fix tests.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* 🎨 style (RydbergHamiltonian): Swap types.

* 🔧 refactor (RydbergHamiltonian): Add wires check.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* 🧪 tests (RydbergHamiltonian): Improve test.

* 🧪 tests (RydbergHamiltonian): Fix tests.

* 🧪 tests (RydbergHamiltonian): Remove radd test.

* 📝 docs (RydbergHamiltonian): Address review comments.

* 🐛 fix (RydbergPulse): Fix argument order.

* 🧪 tests (RydbergHamiltonian): Add test.

* 📝 docs (RydbergHamiltonian): Improve docs.

* 🔧 refactor (rydberg): Change name of function.

* organize parameters for amp and phase when calling

* Create RydbergHamiltonianPytree

* Adding other operators returns a RydbergHamiltonian

* Combine Rydberg and standard ParametrizedHamiltonian PyTrees

* rearrange

* Make AmlitudeAndPhase a callable class

* undo import change

* Support adding ParametrizedHamiltonian+RydbergHamiltonian

* make call signature for rydberg_drive consistent

* Reorder phase and detuning

* Add tests

* Update docstrings

* Update tests

* Fixed `rydberg_drive` examples

* Apply suggestions from code review

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* rename drive terms

* Update pytree

* Added `rydberg_local_drive`

* Updated coefficients for global and local drive

* Added changelog entry

* Updated tests

* Updated function name

* Fixed docstring

* Removed local shift; Updated detuning

* Fixed changelog

* Added test

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Korbinian Kottmann <43949391+Qottmann@users.noreply.github.com>

* Update `rydberg_drive` to raise error when trivial

* Fixed callable-float casting error

* Update tests/pulse/test_rydberg_hamiltonian.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Reverted  to positional argument

* Updated integration test

* Update pytree

* Add corrections to pyscf dipole coeffs (#3908)

* add small corrections to pyscf dipole results

* update changelog

* Apply suggestions from code review

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>

* trigger ci

---------

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>

* Allow different degrees for different parameters in Fourier tools (#3005)

* allow flexible degrees in coefficients, use broadcasting in computing them

* more variable degrees functionality; tests

* blcak

* linting

* black

* changelog

* allow multi-degrees with lowpass filter; + tests

* recategorize as improvement

* additional input validation + tests

* lint: remove unused argument

* tiny space

* test

* test2

* test3

* Apply suggestions from code review

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>

* lint test

* confused changelog link change

* Apply suggestions from code review

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* typo in old changelog

* Apply suggestions from code review

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>

---------

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>
Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Link relevant demo for classical shadows in docs (#3897)

* Link shadow demo in docs

* same link in module description

* typo

* add to see-also and re-trigger

* bad indent

* Update pennylane/shadows/__init__.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* remove old demo link

---------

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Raise an error if jitting `Counts` (#3892)

* Update `QubitDevice` to throw error if jitting counts

* Added changelog entry

* Trying out changes

* Updated qnode.py to fail when jitting counts

* Reverted whitespace changes

* Added tests

* Fixed changelog merge conflict

* Allow more operations to be differentiated with the adjoint Jacobian  (#3874)

* full commit, new branch

* changelog

* fix zip<>product error

* lint

---------

Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca>

* Torch QNN adapted for new return type (#3913)

* Add runner

* Missing }

* Lint

* Pylint more

* Update tests/returntypes/qnn/test_qnn_torch_new.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Changelog

---------

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* TF QNN adapted for new return type (#3914)

* Add runner

* Missing }

* Stack

* Lint

* Pylint more

* Linting first batch

* Pylint

* Typo and black

* Typo again

* Make `qml.devices.qubit.measure` compatible with backprop derivatives for Hamiltonian and Sum (#3862)

* function for computing expectation values of sums when backprop

* combine state_diagonalizing_gates and state_measurement_process

* tidy

* tests

* rename state_hamiltonian_expval to csr_dot_products

* torch test and partial tf test

* apply_operation changes

* black

* clarify docstring

* Update pennylane/devices/qubit/measure.py

* jax use float64

* enable float64 for the test

* Forget to tag (#3922)

* Change `Operator.num_wires` to `AnyWires` (#3919)

* Changed Operator.num_wires to AnyWires

* Updated changelog

* Fixed changelog entry

* Updated tests

* trigger ci

* Updated docstrings for pylint

* Update tests

* Reverting to old commit for merge

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Fixed old merge artifacts

* Fixed test

* Trigger CI

* Reformatting

---------

Co-authored-by: AlbertMitjans <a.mitjanscoma@gmail.com>
Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>
Co-authored-by: Korbinian Kottmann <43949391+Qottmann@users.noreply.github.com>
Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>
Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com>
Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: Matthew Silverman <matthews@xanadu.ai>
Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca>
Co-authored-by: Romain Moyard <rmoyard@gmail.com>
Co-authored-by: Christina Lee <christina@xanadu.ai>
@soranjh soranjh mentioned this pull request Apr 3, 2023
Merged
mudit2812 pushed a commit that referenced this pull request Apr 13, 2023
@soranjh @obliviateandsurrender
@lillian542 @mudit2812
Add corrections to pyscf dipole coeffs (#3908)
0c50f54 
* add small corrections to pyscf dipole results

* update changelog

* Apply suggestions from code review

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>

* trigger ci

---------

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>
mudit2812 added a commit that referenced this pull request Apr 13, 2023
@mudit2812 @AlbertMitjans
@lillian542 @Qottmann @dwierichs @soranjh @obliviateandsurrender @timmysilv @Jaybsoni @rmoyard @albi3ro
Avoid adding zero-terms to the Hamiltonian in rydberg_drive (#3911)
66a89ed 
* ✨ feat (rydberg): Add rydberg_interaction function.

* 🐛 fix (rydberg): Small fixes.

* 🔧 refactor (rydberg): Remove distance.

* ✨ feat (rydberg): Add drive function.

* 🔧 refactor (rydberg): Remove Operator inheritance.

* ✨ feat (ParametrizedHamiltonian): Add __mul__ method.

* ✨ feat (Rydberg): Add phases argument to drive method.

* 📝 docs (Rydberg): Fix docstring.

* 🔧 refactor (Rydberg): Add distance argument.

* 🔧 refactor (Rydberg): Fix units.

* 🔧 refactor (Rydberg): Allow for global drive

* ⏪ revert (Rydberg): Remove callable support in __mul__.

* 🔧 refactor (Rydberg): Make RydbergMachine callable.

* 🔧 refactor (Operator): Take into account batching in dunder methods.

* 🔧 refactor (RydbergMachine): Change file name.

* 🧪 tests (RydbergMachine): Add tests.

* 🧪 tests (RydbergMachine): Add tests.

* 🐛 fix (RydbergMachine): Change wires from None to list before if check.

* 📝 docs (RydbergMachine): Fix docstrings.

* 📝 docs (RydbergMachine): Fix docstrings.

* 📝 docs (RydbergMachine): Fix docstrings.

* 🔧 refactor (RydbergHamiltonian): Make drives standalone functions.

* 🔧 refactor (RydbergHamiltonian): Rename files.

* ✨ feat (RydbergHamiltonian): Add matrix method.

* 🐛 fix (evolve): Small fix.

* ⏪ revert (RydbergHamiltonian): Move functions back inside the RydbergHamiltonian class.

* ⏪ revert (evolve)

* 🔧 refactor (RydbergHamiltonian): Remove inplace usage. Return copy of new class instead.

* 🧪 tests (RydbergHamiltonian): Improve tests.

* 🔧 refactor (RydbergHamiltonian): Refactor class.

* 🐛 fix (rydberg_interaction): Small fix

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🎨 style (RydbergHamiltonian): Raise warning when the wire of a laser field is not present in the Rydberg ensemble.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (RydbergHamiltonian): Add tests.

* ⏪ revert (evolve)

* 🔧 refactor (RydbergHamiltonian): Remove RydbergPulses class.

* 📝 docs (RydbergHamiltonian): Fix docstrings.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (RydbergHamiltonian): Add tests.

* 🧪 tests (ParametrizedHamiltonian): Add test.

* ✏️ chore (changelog): Fix changelog entry.

* 🧪 tests (Operator): Add tests.

* 📝 docs (RydbergHamiltonian): Add to docs.

* 🧪 tests (RydbergHamiltonian): Improve coverage.

* 📝 docs (RydbergHamiltonian): Add to docs.

* 📝 docs (RydbergHamiltonian): Fix docs rendering.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* 📝 docs (RydbergHamiltonian): Address review comments.

* 📝 docs (RydbergHamiltonian): Address review comments.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* 🧪 tests (RydbergHamiltonian): Fix tests.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* 🎨 style (RydbergHamiltonian): Swap types.

* 🔧 refactor (RydbergHamiltonian): Add wires check.

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* 🧪 tests (RydbergHamiltonian): Improve test.

* 🧪 tests (RydbergHamiltonian): Fix tests.

* 🧪 tests (RydbergHamiltonian): Remove radd test.

* 📝 docs (RydbergHamiltonian): Address review comments.

* 🐛 fix (RydbergPulse): Fix argument order.

* 🧪 tests (RydbergHamiltonian): Add test.

* 📝 docs (RydbergHamiltonian): Improve docs.

* 🔧 refactor (rydberg): Change name of function.

* organize parameters for amp and phase when calling

* Create RydbergHamiltonianPytree

* Adding other operators returns a RydbergHamiltonian

* Combine Rydberg and standard ParametrizedHamiltonian PyTrees

* rearrange

* Make AmlitudeAndPhase a callable class

* undo import change

* Support adding ParametrizedHamiltonian+RydbergHamiltonian

* make call signature for rydberg_drive consistent

* Reorder phase and detuning

* Add tests

* Update docstrings

* Update tests

* Fixed `rydberg_drive` examples

* Apply suggestions from code review

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* rename drive terms

* Update pytree

* Added `rydberg_local_drive`

* Updated coefficients for global and local drive

* Added changelog entry

* Updated tests

* Updated function name

* Fixed docstring

* Removed local shift; Updated detuning

* Fixed changelog

* Added test

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: Korbinian Kottmann <43949391+Qottmann@users.noreply.github.com>

* Update `rydberg_drive` to raise error when trivial

* Fixed callable-float casting error

* Update tests/pulse/test_rydberg_hamiltonian.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Reverted  to positional argument

* Updated integration test

* Update pytree

* Add corrections to pyscf dipole coeffs (#3908)

* add small corrections to pyscf dipole results

* update changelog

* Apply suggestions from code review

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>

* trigger ci

---------

Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>

* Allow different degrees for different parameters in Fourier tools (#3005)

* allow flexible degrees in coefficients, use broadcasting in computing them

* more variable degrees functionality; tests

* blcak

* linting

* black

* changelog

* allow multi-degrees with lowpass filter; + tests

* recategorize as improvement

* additional input validation + tests

* lint: remove unused argument

* tiny space

* test

* test2

* test3

* Apply suggestions from code review

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>

* lint test

* confused changelog link change

* Apply suggestions from code review

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* typo in old changelog

* Apply suggestions from code review

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>

---------

Co-authored-by: Matthew Silverman <matthews@xanadu.ai>
Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Link relevant demo for classical shadows in docs (#3897)

* Link shadow demo in docs

* same link in module description

* typo

* add to see-also and re-trigger

* bad indent

* Update pennylane/shadows/__init__.py

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* remove old demo link

---------

Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>

* Raise an error if jitting `Counts` (#3892)

* Update `QubitDevice` to throw error if jitting counts

* Added changelog entry

* Trying out changes

* Updated qnode.py to fail when jitting counts

* Reverted whitespace changes

* Added tests

* Fixed changelog merge conflict

* Allow more operations to be differentiated with the adjoint Jacobian  (#3874)

* full commit, new branch

* changelog

* fix zip<>product error

* lint

---------

Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca>

* Torch QNN adapted for new return type (#3913)

* Add runner

* Missing }

* Lint

* Pylint more

* Update tests/returntypes/qnn/test_qnn_torch_new.py

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* Changelog

---------

Co-authored-by: Mudit Pandey <mudit.pandey@xanadu.ai>

* TF QNN adapted for new return type (#3914)

* Add runner

* Missing }

* Stack

* Lint

* Pylint more

* Linting first batch

* Pylint

* Typo and black

* Typo again

* Make `qml.devices.qubit.measure` compatible with backprop derivatives for Hamiltonian and Sum (#3862)

* function for computing expectation values of sums when backprop

* combine state_diagonalizing_gates and state_measurement_process

* tidy

* tests

* rename state_hamiltonian_expval to csr_dot_products

* torch test and partial tf test

* apply_operation changes

* black

* clarify docstring

* Update pennylane/devices/qubit/measure.py

* jax use float64

* enable float64 for the test

* Forget to tag (#3922)

* Change `Operator.num_wires` to `AnyWires` (#3919)

* Changed Operator.num_wires to AnyWires

* Updated changelog

* Fixed changelog entry

* Updated tests

* trigger ci

* Updated docstrings for pylint

* Update tests

* Reverting to old commit for merge

* Update pennylane/pulse/rydberg_hamiltonian.py

Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>

* Fixed old merge artifacts

* Fixed test

* Trigger CI

* Reformatting

---------

Co-authored-by: AlbertMitjans <a.mitjanscoma@gmail.com>
Co-authored-by: lillian542 <38584660+lillian542@users.noreply.github.com>
Co-authored-by: lillian542 <Lillian.frederiksen@xanadu.ai>
Co-authored-by: Korbinian Kottmann <43949391+Qottmann@users.noreply.github.com>
Co-authored-by: David Wierichs <david.wierichs@xanadu.ai>
Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com>
Co-authored-by: Utkarsh <utkarshazad98@gmail.com>
Co-authored-by: Matthew Silverman <matthews@xanadu.ai>
Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca>
Co-authored-by: Romain Moyard <rmoyard@gmail.com>
Co-authored-by: Christina Lee <christina@xanadu.ai>
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@obliviateandsurrender obliviateandsurrender obliviateandsurrender approved these changes

@lillian542 lillian542 lillian542 approved these changes

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@soranjh @obliviateandsurrender @lillian542