[WIP] What is QChem by isaacdevlugt · Pull Request #584 · PennyLaneAI/demos

isaacdevlugt · 2022-09-23T20:57:09Z

Should be adjusted to fit the new website hierarchy, as discussed with Ben. :)
Tag @ikurecic for issues/changes.

Checklist
[✓] Images in relevant places

[✓] All metadata is properly populated

[✓] Renders properly

github-actions · 2022-09-23T21:22:28Z

Thank you for opening this pull request.

You can find the built site at this link.

Deployment Info:

Pull Request ID: 584
Deployment SHA: 2b72dba6b16dec6bcd07879cc3d2fe32ec341f14
(The Deployment SHA refers to the latest commit hash the docs were built from)

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branedrane

Hey! I've created some doodles, and made copious but largely superficial comments on the copy.

whatisqchem.rst

Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com>

branedrane

Minor adjustments

whatisqchem.rst

Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com>

co9olguy

Thanks for this!

Overall it looks good, but major recommendation would be to merge the two sections drawing links between QML and QChem into one. I wasn't quite sure there was sufficiently clear motivation/explanation to draw it out into two sections

glossary.rst

whatisqchem.rst

co9olguy · 2022-12-16T18:23:22Z

whatisqchem.rst

+Nature is quantum-mechanical
+~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+
+.. image:: /_static/whatisqchem/quantum_chemistry.svg


Nice image. Is the potato meant to be a cell/bacteria/microbe?

If so, that might be a scale that is a bit too large for a QM-description to be relevant (so the image would be potentially misrepresentative). Would be better if this was a molecule (could be a large one, e.g., dozens-hundreds of atoms).

The idea was just to have a potato, to represent 'natural materials' in a cartoony way. I'll ask Tarik to make an alternative, thanks.

yep should just be a small tweak

whatisqchem.rst

…uild-branches workflow (#660) * Added new workflow to build branches * Removed comments not needed * Added docstrings for parse_execution_times

isaacdevlugt · 2022-12-16T20:50:50Z

Thanks for this!

Overall it looks good, but major recommendation would be to merge the two sections drawing links between QML and QChem into one. I wasn't quite sure there was sufficiently clear motivation/explanation to draw it out into two sections

This was originally one section, but @ikurecic raised the point that the other "What is X" articles each have one more section compared to this one, so we split it in two. @ikurecic you okay if I revert this?

Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com>

ikurecic · 2022-12-18T11:59:33Z

Thanks for this!
Overall it looks good, but major recommendation would be to merge the two sections drawing links between QML and QChem into one. I wasn't quite sure there was sufficiently clear motivation/explanation to draw it out into two sections

This was originally one section, but @ikurecic raised the point that the other "What is X" articles each have one more section compared to this one, so we split it in two. @ikurecic you okay if I revert this?

@isaacdevlugt — by all means, revert it, but we also do need a bit more content + to look at copy concerns Nathan pointed out. Since you wrote this one and have a much better idea of the intended meaning, any chance you'd want to do that?
We have until January.

* Development branch * Bumped requirement package versions (#667) * Bumped jax versions * Updated neural-tangents * Apply suggestions from code review Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com>

whatisqchem.rst

josh146 · 2023-01-23T16:49:21Z

BTW something seems to have gone wrong in the rebase, there are now a lot of files marked as modified that shouldn't be modified 😬

…to what_is_qchem

isaacdevlugt · 2023-01-23T17:55:26Z

@josh146 I fixed the rebasing errors, but not sure why there's a diff for .github/workflows/build-dev.yml and .github/workflows/build-master.yml 🤔

josh146 · 2023-01-23T17:57:52Z

@isaacdevlugt for anything you don't intend to change, I would recommend checking out the versions of those files from the sc-30752-create-quantum-chemistry-subhub branch, e.g.,

git checkout sc-30752-create-quantum-chemistry-subhub .github/workflows/build-dev.yml

isaacdevlugt · 2023-01-23T18:24:42Z

I think we're good @josh146 !

index.rst

what-is-quantum-chemistry.rst

Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com>

josh146

Thanks everyone, just some small suggestions and then I think it is ready to merge :)

README.md

what-is-quantum-chemistry.rst

Co-authored-by: Josh Izaac <josh146@gmail.com>

* added QC subhub * Empty-Commit * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * Update quantum-chemistry.rst Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * [WIP] What is QChem (#584) * First commit, no images * Update whatisqchem.rst Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Update whatisqchem.rst Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Apply suggestions from code review Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Apply suggestions from David's code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * Fixing links * Adding new images * Removing xanadu_theme, adding meta image * Fixed link issues and glossary term * Made meta consistent with glossary * Formatting upgrade * split one section into two * Changed image width * Fixed image wrapping * Remove the build-master and build-dev workflows and introduce a new build-branches workflow (#660) * Added new workflow to build branches * Removed comments not needed * Added docstrings for parse_execution_times * Apply suggestions from Nathan's code review Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Merge dev in master following v0.28.0 release of PennyLane (#671) * Development branch * Bumped requirement package versions (#667) * Bumped jax versions * Updated neural-tangents * Apply suggestions from code review Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> * be bold * merged qml <> qchem sections together * minor Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * VQE placed first * [sc-30824]: Added build-master and dev back (#670) * [sc-30824]: Added build-master and dev back * Added workflow dispatch to build-master and dev * Fix job name * Add spacing * Add demo for using external quantum chemistry libraries (#578) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * External_Libs fixing metadata (#676) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change * fix metadata Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * rename (#677) * external lib - thumbnail fix (#678) * rename * Update demos_quantum-chemistry.rst * Apply suggestions Nathan's code review Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Update whatisqchem.rst * minor * minor * updated quantum_chemistry.svg * changed file name * Apply suggestions from code review Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * minor * fix problems from rebase * minor * minor * minor * minor * minor * rebase fixing * moved what-is-quantum-chemistry to subhub * Update what-is-quantum-chemistry.rst Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * removed unused pics * Fixed image dimensions and tried setting locations * Image location change * Empty-Commit * Empty-Commit * Apply suggestions from Josh's code review Co-authored-by: Josh Izaac <josh146@gmail.com> * Update requirements.txt Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * commented out video section * added new graphics * updated alt attributes * Update quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * addressed comments * minor update --------- Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: BM7878 <117289949+BM7878@users.noreply.github.com> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai>

* added new section * added tiles * updated content, refactored cards * updated style * minor refactoring * cleanup * Update index.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update links Co-authored-by: Josh Izaac <josh146@gmail.com> * updated content * updated title * Update index.rst * Update index.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update index.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update index.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * added new graphics * addressed comments * Sc 30754 Create Quantum Computing hub (#684) * added Quantum Computing hub * Empty * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * [WIP] 'What is quantum computing?' webpage (#614) * First draft of webpage Images are placeholders — to be adjusted later this week. * Apply suggestions from code review (1/2) Yup, I agree with most grammar suggestions, but was trying to follow the current style on the QML page. Thanks for catching a few of the real nonsense choices! 😁 I'll make a few small changes in another commit and then ping again. Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Apply suggestions from code review Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Edits following Isaac's review * trigger actions again * Added new images * Fixing links * Added glossary and readme data * Set meta * Emph update * Changed image widths * Remove the build-master and build-dev workflows and introduce a new build-branches workflow (#660) * Added new workflow to build branches * Removed comments not needed * Added docstrings for parse_execution_times * Simple grammar fix whatisqc.rst Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Simple text update whatisqc.rst Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Simple text update whatisqc.rst Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Merge dev in master following v0.28.0 release of PennyLane (#671) * Development branch * Bumped requirement package versions (#667) * Bumped jax versions * Updated neural-tangents * Apply suggestions from code review Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> * Update README.md learning hubs bullet points Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * [sc-30824]: Added build-master and dev back (#670) * [sc-30824]: Added build-master and dev back * Added workflow dispatch to build-master and dev * Fix job name * Add spacing * Add demo for using external quantum chemistry libraries (#578) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * External_Libs fixing metadata (#676) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change * fix metadata Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * rename (#677) * external lib - thumbnail fix (#678) * rename * Update demos_quantum-chemistry.rst * Agnostic community demo (#659) * Update demos_community.yaml * Update demos_community.yaml * Update demos_community.yaml Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com> Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com> * Fix a typo in the QFT demo (#685) Co-authored-by: Sergei Mironov <sergei.mironov@xanadu.ai> * Update based on suggestion Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Update whatisqc.rst * Update whatisqc.rst * Update whatisqc.rst * review changes * tiny formatting fix * Update file name in link Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * changed file name * fixing rebase * Final text tweaks, removed unnecessary image * Empty-Commit * Apply suggestions from code review Co-authored-by: Josh Izaac <josh146@gmail.com> * Update requirements.txt * Made changes based on review, updated images Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com> Co-authored-by: Sergei Mironov <grrwlf@gmail.com> Co-authored-by: Sergei Mironov <sergei.mironov@xanadu.ai> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <isaacdevlugt@gmail.com> * commented out the video section * added new graphics * updated alt attributes * Swapped out quantum advantage image * Update quantum-computing.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update what-is-quantum-computing.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update glossary.rst Co-authored-by: Josh Izaac <josh146@gmail.com> --------- Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: BM7878 <117289949+BM7878@users.noreply.github.com> Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com> Co-authored-by: Sergei Mironov <grrwlf@gmail.com> Co-authored-by: Sergei Mironov <sergei.mironov@xanadu.ai> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <isaacdevlugt@gmail.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai> * Sc 30752 Create Quantum Chemistry subhub (#683) * added QC subhub * Empty-Commit * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * Update quantum-chemistry.rst Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * [WIP] What is QChem (#584) * First commit, no images * Update whatisqchem.rst Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Update whatisqchem.rst Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Apply suggestions from code review Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> * Apply suggestions from David's code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * Fixing links * Adding new images * Removing xanadu_theme, adding meta image * Fixed link issues and glossary term * Made meta consistent with glossary * Formatting upgrade * split one section into two * Changed image width * Fixed image wrapping * Remove the build-master and build-dev workflows and introduce a new build-branches workflow (#660) * Added new workflow to build branches * Removed comments not needed * Added docstrings for parse_execution_times * Apply suggestions from Nathan's code review Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Merge dev in master following v0.28.0 release of PennyLane (#671) * Development branch * Bumped requirement package versions (#667) * Bumped jax versions * Updated neural-tangents * Apply suggestions from code review Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> * be bold * merged qml <> qchem sections together * minor Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * VQE placed first * [sc-30824]: Added build-master and dev back (#670) * [sc-30824]: Added build-master and dev back * Added workflow dispatch to build-master and dev * Fix job name * Add spacing * Add demo for using external quantum chemistry libraries (#578) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * External_Libs fixing metadata (#676) * add external lib demo * add import * add integrals * add resource example * fix pip install * add demo to rst file * add thumbnail * update thumbnail * update link * correct typo * correct dates * correct demo name * update code * update thumbnail * correct code * update thumbnail * update pyscf version * add conclusion * apply suggestions from review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * add review comments * add review comments * apply suggestions from code review Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> * apply suggestions from code review Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> * correct list format * correct list format * rearrange text * correct typo and link * correct link * thumbnail + date + bio * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demonstrations/tutorial_qchem_external.py Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update demos_quantum-chemistry.rst * fixing format * last change * fix metadata Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * rename (#677) * external lib - thumbnail fix (#678) * rename * Update demos_quantum-chemistry.rst * Apply suggestions Nathan's code review Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * Update whatisqchem.rst * minor * minor * updated quantum_chemistry.svg * changed file name * Apply suggestions from code review Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * minor * fix problems from rebase * minor * minor * minor * minor * minor * rebase fixing * moved what-is-quantum-chemistry to subhub * Update what-is-quantum-chemistry.rst Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> * removed unused pics * Fixed image dimensions and tried setting locations * Image location change * Empty-Commit * Empty-Commit * Apply suggestions from Josh's code review Co-authored-by: Josh Izaac <josh146@gmail.com> * Update requirements.txt Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> * commented out video section * added new graphics * updated alt attributes * Update quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * Update quantum-chemistry.rst Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> * addressed comments * minor update --------- Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: BM7878 <117289949+BM7878@users.noreply.github.com> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai> * Sc 30753 Add Quantum Machine Learning Subhub (#682) * added preliminary subhub page * added video card * Empty-Commit * Update quantum-machine-learning.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-machine-learning.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * Update quantum-machine-learning.rst Co-authored-by: Josh Izaac <josh146@gmail.com> * commented out the video section * updated new graphics * updated alt attributes * addressed comments --------- Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: BM7878 <117289949+BM7878@users.noreply.github.com> * introduced common css * cleanup * Update index.rst Co-authored-by: Josh Izaac <josh146@gmail.com> --------- Co-authored-by: Josh Izaac <josh146@gmail.com> Co-authored-by: BM7878 <117289949+BM7878@users.noreply.github.com> Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com> Co-authored-by: Rashid N H M <95639609+rashidnhm@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <34751083+isaacdevlugt@users.noreply.github.com> Co-authored-by: Nathan Killoran <co9olguy@users.noreply.github.com> Co-authored-by: Jay Soni <jbsoni@uwaterloo.ca> Co-authored-by: GitHub Nightly Merge Action <actions@github.com> Co-authored-by: soranjh <40344468+soranjh@users.noreply.github.com> Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com> Co-authored-by: David Wakeham <113920759+branedrane@users.noreply.github.com> Co-authored-by: KetpuntoG <65235481+KetpuntoG@users.noreply.github.com> Co-authored-by: soranjh <soranjh@yahoo.com> Co-authored-by: Catalina Albornoz <albornoz.catalina@hotmail.com> Co-authored-by: Sergei Mironov <grrwlf@gmail.com> Co-authored-by: Sergei Mironov <sergei.mironov@xanadu.ai> Co-authored-by: Ashish Kanwar Singh <104938869+ashishks0522@users.noreply.github.com> Co-authored-by: Isaac De Vlugt <isaacdevlugt@gmail.com> Co-authored-by: Ivana Kurečić <ivana@xanadu.ai>

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isaacdevlugt commented Sep 23, 2022 •

edited by ikurecic

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github-actions bot commented Sep 23, 2022 •

edited

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