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

Transmitting pbc to ASE #231

Merged
merged 2 commits into from
Jun 18, 2020
Merged

Transmitting pbc to ASE #231

merged 2 commits into from
Jun 18, 2020

Conversation

pfebrer
Copy link
Contributor

@pfebrer pfebrer commented Jun 18, 2020

Does it make sense?

I was using a tool that relied on the pbc attribute of the ASE object and it failed because the ASE object (which I got from a sisl geometry) had no idea of the periodic conditions.

Copy link
Owner

@zerothi zerothi left a comment

Choose a reason for hiding this comment

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

Good idea!!

@zerothi zerothi merged commit 3bc7d8e into zerothi:master Jun 18, 2020
@pfebrer pfebrer deleted the ase_pbc branch June 18, 2020 09:56
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