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

O3A code generating incorrect results for multiconformer molecules #385

Closed

greglandrum opened this issue Nov 15, 2014 · 0 comments

Labels

bug

Milestone

Member

greglandrum commented Nov 15, 2014

Here's a notebook showing the problem:
http://nbviewer.ipython.org/gist/greglandrum/dda2bffd0ba128d1decb

Reported by James Davidson

greglandrum added the bug label

greglandrum closed this as completed in

72e7f92

greglandrum modified the milestones: 2015_03_1, 2014_09_2

greglandrum added a commit that referenced this issue


          Fixes #385

84aae66

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