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

After 2.0 #141

Open

3 of 5 tasks

fedepedron opened this issue Oct 11, 2017 · 1 comment

Labels

Collaborator

fedepedron commented Oct 11, 2017 •

edited

Loading

I'll be using this issue to add features needed after LIO 2.0.

Integration with libXC
Developer-use tests (minimizations, pseudopotentials, TD, Transport).
Open-Shell Ehrenfest.
Gradients in pseudopotential calculations.
HF-like exchange integrals for hybrid and meta-GGA functionals.

fedepedron added the enhancement label

Collaborator

ramirezfranciscof commented Oct 11, 2017

Open-Shell Ehrenfest

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment