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

Oxidation states guessed twice #138

Closed

utf opened this issue Dec 1, 2018 · 0 comments · Fixed by #142

Member

utf commented Dec 1, 2018

Currently oxidation states are guessed separately for structures and for compositions.

Instead, oxidation states should be guessed for structures only, with the oxidation state compositions taken from the precomputed structure.

utf mentioned this issue

Better handling of adding oxidation states to large structures. #142

Merged

ardunn closed this as completed in #142

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment