-
Notifications
You must be signed in to change notification settings - Fork 79
Issues: MolSSI/QCEngine
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
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
handle_output_metadata deletes .extras values if they were returned on a FailedOperation object
#397
opened Feb 4, 2023 by
coltonbh
SUGGESTION: Cohere
qcng.compute()
call stack naming consistencies and annotations to improve clarity
#348
by coltonbh
was closed Jun 24, 2022
[BUG] berny optimization procedure fails to capture compute errors correctly
#300
by coltonbh
was closed Jun 23, 2022
2
GCP .get_version() method raises exception when running
qcengine info
#293
opened Mar 10, 2021 by
coltonbh
qcengine info psi4 harness raises exception if system uses pyenv
#292
by coltonbh
was closed Aug 14, 2023
ProTip!
Type g i on any issue or pull request to go back to the issue listing page.