Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add explanation section on how we compute radial integrals #299

Open
Tracked by #332
PicoCentauri opened this issue Apr 15, 2024 · 0 comments
Open
Tracked by #332

Add explanation section on how we compute radial integrals #299

PicoCentauri opened this issue Apr 15, 2024 · 0 comments
Assignees
Labels
documentation Improvements or additions to documentation

Comments

@PicoCentauri
Copy link
Collaborator

With the implementation of #298 the spliner classes can now handle all combinations of radial basis functions and atomic densities we offer 🎉. And, there is already some technical documentation available. On top some mathematical background explanation would be very useful. i.e. We use a semi-analytical version when we have GaussianDensities etc.

@kvhuguenin already wrote a very good tex document on overleaf which we basically "only" have to cleanup and port to rst.

@PicoCentauri PicoCentauri added the documentation Improvements or additions to documentation label Apr 15, 2024
@Luthaf Luthaf mentioned this issue Sep 26, 2024
6 tasks
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
documentation Improvements or additions to documentation
Projects
None yet
Development

No branches or pull requests

2 participants