-
-
Notifications
You must be signed in to change notification settings - Fork 60
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Browse files
Browse the repository at this point in the history
The orbital_current was confusing for end-users as it signalled it was a bias-window integrated quantity. Now the routines have changed names and additional ones have been added. *_transmission: are the orbital/atom/... resolved transmissions (they have `E` as argument) *_current: are the orbital/atom/... bias window integrated quantities that reflects the total current (they don't have `E` as argument) This will break old users scripts as the interfaces has also changed. Now all electrode arguments defaults to the 1st electrode and energy arguments are generally the first ones (except DOS). This *should* be more what users want as for 2 electrode systems they'll generally only calculate one orbital_current for the first electrode. For old users one can accommodate these settings by using this small snippet: if sisl.__version_tuple__[:3] >= (0, 13, 0): tbt.orbital_transmission(0.1, "Left") else: tbt.orbital_current("Left", 0.1) Same goes for the other equivalent routines.
- Loading branch information
Showing
4 changed files
with
786 additions
and
395 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
Oops, something went wrong.