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

Integrals of Gaussian derivatives/ Integral inner derivatives #265

Open
HalblauterPC opened this issue Jun 20, 2023 · 0 comments
Open

Integrals of Gaussian derivatives/ Integral inner derivatives #265

HalblauterPC opened this issue Jun 20, 2023 · 0 comments

Comments

@HalblauterPC
Copy link

HalblauterPC commented Jun 20, 2023

Is there a libint2::Operator for inner derivatives in the form of:
<G_i| Nabla | G_j > ?

Or otherwise, how could one add the analytical derivatives to the libint?
Some functions should already exist for the kinetic operators and would only to be modified.

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