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.

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

Read ORCA data #39

Closed
1 of 2 tasks
YHordijk opened this issue Oct 8, 2023 · 0 comments · Fixed by #71
Closed
1 of 2 tasks

Read ORCA data #39

YHordijk opened this issue Oct 8, 2023 · 0 comments · Fixed by #71
Assignees
@YHordijk
Labels
enhancement New feature or request

Comments

@YHordijk
Copy link
Contributor

YHordijk commented Oct 8, 2023 •
edited
Loading

I am running some ORCA calculations. It might be nice to extract some info from them.
@YHordijk YHordijk added the enhancement New feature or request label Oct 8, 2023
@YHordijk YHordijk self-assigned this Oct 8, 2023
@YHordijk YHordijk linked a pull request Dec 11, 2023 that will close this issue
69 read general orca data such as file structure input settings version etc #71
Merged
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@YHordijk YHordijk

Labels
enhancement New feature or request
Projects
None yet
Milestone
No milestone
Development

Successfully merging a pull request may close this issue.

69 read general orca data such as file structure input settings version etc TheoChem-VU/TCutility
1 participant
@YHordijk