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

i,j,k,l indices on Out of Plane Angles #37

Open
coltonbh opened this issue Dec 29, 2022 · 0 comments
Open

i,j,k,l indices on Out of Plane Angles #37

coltonbh opened this issue Dec 29, 2022 · 0 comments

Comments

@coltonbh
Copy link

First a huge thanks for providing these projects for us to work through--enormously helpful!

Also, just spent a few hours debugging my code and realized the issue may be with your indices on the out-of-plane angle exercise. You can see the solution code here. I believe this does not match with the out-of-angle formula provided in the README.md which describes k as the central index from which e_ki is computed. In the code the slight swapping of k and j in the out-of-plane code loop makes j the central atom and changes the computed angles.

Am I missing something here? Thanks so much :)

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant