Add demo for using external quantum chemistry libraries by soranjh · Pull Request #578 · PennyLaneAI/demos

soranjh · 2022-09-19T15:23:08Z

Title:
Using external quantum chemistry libraries

Summary:
This demo shows ho to build molecular Hamiltonian using external libraries such as PySCF and OpenFermion.

Relevant references:

Possible Drawbacks:

Related GitHub Issues:

antalszava · 2022-09-21T16:53:17Z

PR was closed automatically as the dev branch was recreated. Re-opened the PR and now it targets master.

If the demo does use any post-v0.26.0 features from PennyLane, the target branch should be changed again to dev.

github-actions · 2022-10-03T21:47:33Z

Thank you for opening this pull request.

You can find the built site at this link.

Deployment Info:

Pull Request ID: 578
Deployment SHA: d486c25da45c9af7b8bf963f2e5366df3bc8d44b
(The Deployment SHA refers to the latest commit hash the docs were built from)

Note: It may take several minutes for updates to this pull request to be reflected on the deployed site.

branedrane

Looks great!

One quick comment: on deployment, your headshot isn't appearing, so just make sure that's there :)

KetpuntoG · 2022-10-31T18:45:16Z

Looks great!

One quick comment: on deployment, your headshot isn't appearing, so just make sure that's there :)

don't worry about it @soranjh . I'll take care of it before the publication 😄 We have changed the format of the bio. Now it is centralized in the same place and we have changed some paths of the images.

ikurecic

@KetpuntoG — here are the language-related comments. :)

demonstrations/tutorial_qchem_external.py

demos_quantum-chemistry.rst

Co-authored-by: Ivana Kurecic <ivanakurecic@gmail.com>

* 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>

* 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>

* 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>

* 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>

antalszava deleted the branch master September 21, 2022 15:52

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antalszava changed the base branch from dev to master September 21, 2022 16:52

soranjh added the qchem label Oct 3, 2022

soranjh changed the base branch from master to dev October 3, 2022 19:51

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soranjh closed this Oct 3, 2022

add external lib demo

317f81e

soranjh reopened this Oct 3, 2022

add import

1af5101

soranjh force-pushed the qchem_external_libs branch from f981081 to 1af5101 Compare October 3, 2022 21:10

soranjh added 8 commits October 5, 2022 16:55

add integrals

84ba796

add resource example

97a0371

fix pip install

3911cc2

add demo to rst file

f17d1f1

add thumbnail

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update thumbnail

92e644e

update link

7879165

correct typo

bd2208d

soranjh added the ignore-qml-cache label Oct 6, 2022

correct dates

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soranjh removed the ignore-qml-cache label Oct 7, 2022

correct demo name

644daf8

branedrane approved these changes Oct 31, 2022

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soranjh and others added 4 commits November 1, 2022 15:05

correct typo and link

aa50d7c

correct link

a51f56a

thumbnail + date + bio

b3534e7

Merge branch 'master' into qchem_external_libs

8a6d56e

ikurecic reviewed Jan 2, 2023

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KetpuntoG and others added 16 commits January 2, 2023 13:28

Update demonstrations/tutorial_qchem_external.py

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KetpuntoG merged commit 1766b4d into master Jan 3, 2023

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Add demo for using external quantum chemistry libraries#578

Add demo for using external quantum chemistry libraries#578
KetpuntoG merged 48 commits intomasterfrom
qchem_external_libs

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