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

Fix C2v orientation (issue #1201) #1393

Merged
merged 2 commits into from
Sep 1, 2022
Merged

Conversation

sunqm
Copy link
Collaborator

@sunqm sunqm commented Aug 31, 2022

Fix the orientation of planar molecule with C2v symmetry following http://iopenshell.usc.edu/resources/howto/symmetry/

pyscf/symm/geom.py Outdated Show resolved Hide resolved
@sunqm sunqm merged commit e8b3c61 into pyscf:master Sep 1, 2022
@sunqm sunqm deleted the c2v-orientation branch September 1, 2022 01:14
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