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

Make return of vector representation in SO3net optional #465

Merged
merged 1 commit into from
Dec 1, 2022
Merged

Make return of vector representation in SO3net optional #465

merged 1 commit into from
Dec 1, 2022

Conversation

mgastegger
Copy link
Collaborator

Output of the Cartesian vector representation in the SO3net representation can now be controlled with the return_vector_representation option.

Returning the Cartesian vector representation by default can lead to unwanted memory overhead, especially for bulk systems. Due to this, return_vector_features is now disabled by default in the so3net config.

@mgastegger mgastegger requested a review from ktschuett December 1, 2022 10:00
@mgastegger mgastegger changed the title Made return of vector representation in SO3net optional Make return of vector representation in SO3net optional Dec 1, 2022
@ktschuett ktschuett merged commit 44847a4 into master Dec 1, 2022
@ktschuett ktschuett deleted the mg/optional_vectors_so3 branch December 1, 2022 10:22
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@ktschuett ktschuett ktschuett approved these changes

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
2 participants
@mgastegger @ktschuett