Skip to content
This repository has been archived by the owner on Aug 21, 2023. It is now read-only.

chemistry tutorials #1058

Merged
merged 6 commits into from
Oct 21, 2020
Merged

chemistry tutorials #1058

merged 6 commits into from
Oct 21, 2020

Conversation

paulineollitrault
Copy link
Contributor

Summary

tutorials for the last chemistry release.

Details and comments

This includes:

  • a tutorial on electronic structure calculations
  • a tutorial on vibronic structure calculations
  • a tutorial on ground state calculations
  • a tutorial on excited states calculations
  • auxiliary files

@nonhermitian
Copy link
Contributor

This fails early due to a bad kernel name:

NoSuchKernel in tutorials/chemistry/2_electronic_structure.ipynb:
No such kernel named qiskitpip

* renaming
* qiskit version at the end with qiskit.tools
* kernel name
* comments non-capitalized
@nonhermitian
Copy link
Contributor

There is one math formatting error, and a few deprecation warnings, but otherwise this is good to go. Those issues can alos be fixed later as getting a new branch of tutorials out is holding a few other things back,

Screen Shot 2020-10-20 at 13 02 34

@paulineollitrault paulineollitrault changed the title [WIP] chemistry tutorials chemistry tutorials Oct 21, 2020
@nonhermitian nonhermitian self-requested a review October 21, 2020 14:15
@nonhermitian nonhermitian merged commit efb6121 into Qiskit:master Oct 21, 2020
manoelmarques pushed a commit to manoelmarques/qiskit-optimization that referenced this pull request Mar 5, 2021
* tutorials on electronic/vibronic structure calculations and ground/excited states calculations

* renaming 1 -> 01

* implemented comments

* renaming
* qiskit version at the end with qiskit.tools
* kernel name
* comments non-capitalized

* added Molecule and ignore swp

* renaming, numpy deprecation warnings and section labelling

Co-authored-by: Paul Nation <nonhermitian@gmail.com>
manoelmarques pushed a commit to manoelmarques/qiskit-nature that referenced this pull request Mar 11, 2021
* tutorials on electronic/vibronic structure calculations and ground/excited states calculations

* renaming 1 -> 01

* implemented comments

* renaming
* qiskit version at the end with qiskit.tools
* kernel name
* comments non-capitalized

* added Molecule and ignore swp

* renaming, numpy deprecation warnings and section labelling

Co-authored-by: Paul Nation <nonhermitian@gmail.com>
Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants