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

analytical SA-DMRG-SCF gradients #8

Open
lijingbai2009 opened this issue Jun 4, 2022 · 0 comments
Open

analytical SA-DMRG-SCF gradients #8

lijingbai2009 opened this issue Jun 4, 2022 · 0 comments

Comments

@lijingbai2009
Copy link

Hi developers,

I read this paper J. Chem. Theory Comput. 2019, 15, 6724−6737 published two years ago. I am wondering if the analytical SA-DMRG-SCF gradient is available right now? Could you please let me know how to enable this function?
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
@lijingbai2009