Update chemistry doc #2482
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Update chemistry doc #2482
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ixfoduap
reviewed
Apr 22, 2022
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
ixfoduap
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Apr 22, 2022
Codecov Report
@@ Coverage Diff @@
## v0.23.0-rc0 #2482 +/- ##
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Coverage ? 99.47%
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Files ? 244
Lines ? 19411
Branches ? 0
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Hits ? 19309
Misses ? 102
Partials ? 0 Continue to review full report at Codecov.
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antalszava
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Apr 25, 2022
* Remove deprecated `get_unitary_matrix` (#2457) * Remove * Changelog * changelog: breaking change * Trigger CI Co-authored-by: Antal Szava <antalszava@gmail.com> * Rename `doc/releases/changelog-dev.md` → `doc/releases/changelog-0.23.0.md` (release candidate) (#2461) * changelog rename * update ref of the file * Fix the issue with JAX JIT for grad when `diff_method="adjoint"` and `mode="backward"` (#2460) * Fix the issue * Apply code review suggestions * Update changelog * Update jax.py * Trigger CI * Bugfix for Nesterov Momentum Optimier (#2466) * nesterov_fix * nesterov momentum bugfix * Update doc/releases/changelog-0.23.0.md * Update tests/optimize/test_optimize.py * Use pennylane numpy in molecular hamiltonian (#2465) * fix pl numpy and ham complex coeff * test * PR num * test tidy * correct method for returning real coeffs * linting Co-authored-by: Antal Szava <antalszava@gmail.com> * Remove `qml.finite_diff` (#2464) * remove finite-diff * remove unused import * Update doc/releases/changelog-0.23.0.md Co-authored-by: antalszava <antalszava@gmail.com> * remove hamiltonian diff test file Co-authored-by: antalszava <antalszava@gmail.com> * Update qchem documentation (#2454) * fix mera formatting issues (#2470) * Fix qcut doc render (#2471) * Update * Update * Trigger CI * fix has_matrix (#2476) * use qml.eigvals because MeasurementProcess.eigvals is being deprecated and raises a warning (#2477) * Warn upon import of an `ObservableReturnType` from operation instead of measurements (#2481) * warn upon import of observablereturntype from operation * black? * Update pennylane/__init__.py Co-authored-by: antalszava <antalszava@gmail.com> * Update tests/test_operation.py Co-authored-by: antalszava <antalszava@gmail.com> * update changelog * Update pennylane/operation.py Co-authored-by: antalszava <antalszava@gmail.com> * Update chemistry doc (#2482) * Automatic upload to pip when released (#2484) * upload * Return line * Jacobian Slice Bug StrawberryFields (#2485) * fixed jacobian slicing issue Update pennylane/interfaces/autograd.py Co-authored-by: antalszava <antalszava@gmail.com> * added testcase for custom device * Update doc/releases/changelog-0.23.0.md * retrigger checks Co-authored-by: antalszava <antalszava@gmail.com> * Documentation fixes for the v0.23.0 release (#2472) * Fix qml.ctrl docstring * Add notice about control values other than 0,1 * Fix bell example on measurements docs page * Update doc/introduction/measurements.rst Co-authored-by: Christina Lee <christina@xanadu.ai> * Update pennylane/transforms/control.py Co-authored-by: Christina Lee <christina@xanadu.ai> * Make the cut_circuit_mc docs example deterministic * Fix sphinx build Co-authored-by: Christina Lee <christina@xanadu.ai> Co-authored-by: antalszava <antalszava@gmail.com> * Issue a warning about repeated cached executions with shot noise (#2478) * Add warning about caching with finite shots * Fix import order * Add changelog * Use set_shots to determine shots for warning * format * disable pylint 'protected-access' * Fixes and cleanup to the inspection logic * format * add test for warning * Review: expand warning message * Review: add additional tests Co-authored-by: antalszava <antalszava@gmail.com> * exclude files from pr * Exclude more files Co-authored-by: Romain Moyard <rmoyard@gmail.com> Co-authored-by: Antal Szava <antalszava@gmail.com> Co-authored-by: Ali Asadi <ali@xanadu.ai> Co-authored-by: Christina Lee <christina@xanadu.ai> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: Sam Banning <samcbanning@gmail.com> Co-authored-by: David Ittah <dime10@users.noreply.github.com> Co-authored-by: GitHub Actions Bot <>
antalszava
added a commit
that referenced
this pull request
Apr 26, 2022
* Remove deprecated `get_unitary_matrix` (#2457) * Remove * Changelog * changelog: breaking change * Trigger CI Co-authored-by: Antal Szava <antalszava@gmail.com> * Rename `doc/releases/changelog-dev.md` → `doc/releases/changelog-0.23.0.md` (release candidate) (#2461) * changelog rename * update ref of the file * Fix the issue with JAX JIT for grad when `diff_method="adjoint"` and `mode="backward"` (#2460) * Fix the issue * Apply code review suggestions * Update changelog * Update jax.py * Trigger CI * Bugfix for Nesterov Momentum Optimier (#2466) * nesterov_fix * nesterov momentum bugfix * Update doc/releases/changelog-0.23.0.md * Update tests/optimize/test_optimize.py * Use pennylane numpy in molecular hamiltonian (#2465) * fix pl numpy and ham complex coeff * test * PR num * test tidy * correct method for returning real coeffs * linting Co-authored-by: Antal Szava <antalszava@gmail.com> * Remove `qml.finite_diff` (#2464) * remove finite-diff * remove unused import * Update doc/releases/changelog-0.23.0.md Co-authored-by: antalszava <antalszava@gmail.com> * remove hamiltonian diff test file Co-authored-by: antalszava <antalszava@gmail.com> * Update qchem documentation (#2454) * fix mera formatting issues (#2470) * Fix qcut doc render (#2471) * Update * Update * Trigger CI * fix has_matrix (#2476) * use qml.eigvals because MeasurementProcess.eigvals is being deprecated and raises a warning (#2477) * Warn upon import of an `ObservableReturnType` from operation instead of measurements (#2481) * warn upon import of observablereturntype from operation * black? * Update pennylane/__init__.py Co-authored-by: antalszava <antalszava@gmail.com> * Update tests/test_operation.py Co-authored-by: antalszava <antalszava@gmail.com> * update changelog * Update pennylane/operation.py Co-authored-by: antalszava <antalszava@gmail.com> * Update chemistry doc (#2482) * Automatic upload to pip when released (#2484) * upload * Return line * Jacobian Slice Bug StrawberryFields (#2485) * fixed jacobian slicing issue Update pennylane/interfaces/autograd.py Co-authored-by: antalszava <antalszava@gmail.com> * added testcase for custom device * Update doc/releases/changelog-0.23.0.md * retrigger checks Co-authored-by: antalszava <antalszava@gmail.com> * Documentation fixes for the v0.23.0 release (#2472) * Fix qml.ctrl docstring * Add notice about control values other than 0,1 * Fix bell example on measurements docs page * Update doc/introduction/measurements.rst Co-authored-by: Christina Lee <christina@xanadu.ai> * Update pennylane/transforms/control.py Co-authored-by: Christina Lee <christina@xanadu.ai> * Make the cut_circuit_mc docs example deterministic * Fix sphinx build Co-authored-by: Christina Lee <christina@xanadu.ai> Co-authored-by: antalszava <antalszava@gmail.com> * Issue a warning about repeated cached executions with shot noise (#2478) * Add warning about caching with finite shots * Fix import order * Add changelog * Use set_shots to determine shots for warning * format * disable pylint 'protected-access' * Fixes and cleanup to the inspection logic * format * add test for warning * Review: expand warning message * Review: add additional tests Co-authored-by: antalszava <antalszava@gmail.com> * Fix QChem documentation (#2487) * Fix finite-shots/caching warning appearing internally for gradients (#2491) * Fix warning appearing internally for gradients * pylint: fix protected attribute * Add test for checking no warning is raised * V0.23.0 notes (#2474) * notes + version * sections * update examples * remove empty sections * has_matrix bug fix * Adding more PRs to the changelog * PR, extend contributors * Extend list of contributors * Update the order of entries * Add auto cutting example; reorg QChem * remove curr release from 0.22.2 header * formatting * fix link * Update * Trigger CI * Change code blooc * Typo * Update pennylane/transforms/optimization/pattern_matching.py Co-authored-by: antalszava <antalszava@gmail.com> * Update pennylane/transforms/optimization/pattern_matching.py Co-authored-by: antalszava <antalszava@gmail.com> * Update pennylane/transforms/optimization/pattern_matching.py Co-authored-by: antalszava <antalszava@gmail.com> * Update pennylane/transforms/optimization/pattern_matching.py Co-authored-by: antalszava <antalszava@gmail.com> * Addd seealso * modify the qchem section * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * code review * code review * code review (remove empty lines & add pattern matching opt docstring link) * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * shape and numeric type example * MP description update * rephrase expand_strategy for qml.specs improvement * update * caching phrasing * removed * phrasing * updates * bug phrasing, reorder * update link placement and use pycon * include swap test output in example * More info on HS template * rephrase QCut * move example to UsageDetails * auto QCut rephrase * More powerful circuit cutting * Trigger CI * Upddate * add qchem code example * correct typo in qchem text * no backticks * fix the case when obs=None for a MeasurementProcess for interface selection * update * changelog * docstring * Update doc/releases/changelog-0.23.0.md Co-authored-by: Josh Izaac <josh146@gmail.com> * update links as per code review * typo * pycon syntax * double backticks * no dev in release header * Lightning v0.23.0 required in setup.py Co-authored-by: Romain Moyard <rmoyard@gmail.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Josh Izaac <josh146@gmail.com> * Remove typo * Update pennylane/interfaces/jax.py Co-authored-by: Romain Moyard <rmoyard@gmail.com> Co-authored-by: Ali Asadi <ali@xanadu.ai> Co-authored-by: Christina Lee <christina@xanadu.ai> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: Sam Banning <samcbanning@gmail.com> Co-authored-by: David Ittah <dime10@users.noreply.github.com> Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: soranjh <soranjh@yahoo.com>
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Context:
Add link to the quantum chemistry white paper in the chemistry docs.