-
Notifications
You must be signed in to change notification settings - Fork 7
Issues: cyllab/ccinput
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
PBEh-3c as unknown functional casues basis set not to be parsed (software gaussian)
bug
Something isn't working
#15
opened Jul 1, 2023 by
zarkoivkovicc
Fix the use of the basis set LANL2DZ with heavy atoms in ORCA
bug
Something isn't working
good first issue
Good for newcomers
#13
opened Jun 23, 2023 by
RaphaelRobidas
Support TD-DFT calculations in ORCA
enhancement
Improvement of existing features
#7
opened Mar 26, 2023 by
RaphaelRobidas
Support for IRC calculations
enhancement
Improvement of existing features
good first issue
Good for newcomers
#6
opened Mar 26, 2023 by
RaphaelRobidas
Add the "TSFREQ" calculation type
good first issue
Good for newcomers
#2
opened Feb 12, 2023 by
RaphaelRobidas
ProTip!
Add no:assignee to see everything that’s not assigned.