-
Notifications
You must be signed in to change notification settings - Fork 25
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Showing
2 changed files
with
7 additions
and
4 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
9f1e59c
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
I still would advice against calling these tensors "hamiltonian elements" as their entries do not directly appear as "elements" when the Hamiltonian is written in second quantized form or as a matrix. They really are tensors of spin-adapted integrals and neither "elements" nor coefficients. Also please add a check of the input tensor's shape. I am sure it will save you a lot of issues opened by users in the future...