Basis Sets Tutorial Notebook

[maximilianvz]

Steps

• Write a good description of what the PR does.
• Add tests for each unit of code added (e.g. function, class)
• Update documentation
• Squash commits that can be grouped together
• Rebase onto master

Description

This is a separated notebook corresponding to the Basis Sets section of the notebook from PR #142 (closed).

Type of Changes

	Type
✓	🐛 Bug fix
✓	✨ New feature
✓	🔨 Refactoring
✓	📜 Docs

Related Issue

[marco-2023]

Hi @maximilianvz @FarnazH I don't have a way to push commits to this PR. I am pushing some changes to https://github.com/marco-2023/gbasis/tree/basis_set_tutorial. Max, when I am finished you can pull them to your local branch and then push them to this PR. I think the examples are great but need to show more gbasis features. I am planning to finish polishing this Notebook and we can use it as a sort of template for the others.

[leila-pujal]

hi @marco-2023, I think you should be able to push changes to Max's PR. I think you have to add Max's repo and fetch his branch (I use this https://git-scm.com/book/en/v2/Git-Basics-Working-with-Remotes). Let me know if you need help trying it.

[marco-2023]

Hi @maximilianvz @FarnazH I made a new PR #158 (it is the finished version of this one but was rebased on the master branch). I thought it would be better than a force push here. I think it may be better if we continue making the necessary revisions there. I will continue going through the evaluations tutorial.

[maximilianvz]

@FarnazH and @marco-2023, if we can agree to move ahead with PR #158, we should close this PR. @marco-2023, do you think you'll have to take this approach (rebasing and then making a new PR) for the other two notebooks as well?

[marco-2023]

Hi @maximilianvz for the other notebooks we need the changes that were made to the API merged in the branches in which we are making the notebooks. The options I see for doing this are:

1. merge master into each of the notebook branches
2. rebase the notebook branches into master and force-push the branches
3. rebase the notebook branches into master and push them as new branches/PRs

I am in favor of either 2 or 3 (the approach seems cleaner), 3 is the more conservative approach. If you could 2 on the other two notebook branches it would be perfect.

[maximilianvz]

@marco-2023, I just finished doing the second approach you suggested on the other 2 notebooks. If you still wish to go with the third option, I'll leave that up to your discretion.

[marco-2023]

Perfect @maximilianvz, I will add my updates to the current branches then. Thank you very much.

[FarnazH]

See #158.