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.

Sign up for GitHub

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

Jump to bottom

Implement other methods of solving the orbital equations #2

Open
jagot opened this issue Apr 2, 2019 · 1 comment
Open

Implement other methods of solving the orbital equations #2

jagot opened this issue Apr 2, 2019 · 1 comment

Comments

@jagot
Copy link
Member

jagot commented Apr 2, 2019

A prime candidate is LOBPCG of IterativeSolvers.jl, if I can figure out how to maintain orthogonality between orbitals without triggering a lot of PosDefExceptions.
@jagot
Copy link
Member Author

jagot commented Apr 2, 2019

Another candidate is the Newton--Raphson method as employed in

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@jagot