Skip to content

Reduced Hamiltonian and Energy Testing #172

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

Merged
merged 3 commits into from
Aug 5, 2025
Merged

Conversation

giovanni-br
Copy link
Collaborator

I changed the function to_geminal to accept rdm2 types and I implemented the method to_reduce.

I believe this is the energy test that you were looking for. For the moment it is an ipynb but I believe that later a pytest will be ideal.

@RichRick1 RichRick1 self-requested a review August 5, 2025 16:01
Copy link
Collaborator

@RichRick1 RichRick1 left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Great job!

@RichRick1 RichRick1 merged commit a6f9eb6 into theochem:main Aug 5, 2025
2 checks passed
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

Successfully merging this pull request may close these issues.

2 participants