Skip to content

Issues: ezpzbz/aiida-orca

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

12 Open 25 Closed
12 Open 25 Closed
Author
Filter by author
Label
Filter by label
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Milestones
Filter by milestone
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Parser fails for output from unrestricted EOM-CCSD
#71 opened Mar 15, 2023 by danielhollas
aiida-orca version not updated in aiida plugin registry documentation Improvements or additions to documentation
#70 opened Feb 20, 2023 by danielhollas
Do not always fetch gbw files to local folder enhancement New feature or request
#68 opened Feb 16, 2023 by danielhollas
1
@danielhollas
Increase test coverage tests
#64 opened Feb 10, 2023 by danielhollas
4
Figure out if extra_input_keywords serve any purpose question Further information is requested
#63 opened Feb 10, 2023 by danielhollas v1.0.0
Support global %maxcore option in the input file generation
#45 opened Oct 24, 2022 by danielhollas
2
Units of excited state energies
#28 opened Jul 9, 2021 by danielhollas
1
Data class for spectra enhancement New feature or request
#22 opened Mar 22, 2020 by ezpzbz v1.0.0
@ezpzbz
1
Adding examples exploiting different types of basis sets enhancement New feature or request
#19 opened Mar 18, 2020 by ezpzbz v0.6.0
@ezpzbz
Convert GBW to WFN enhancement New feature or request
#18 opened Mar 18, 2020 by ezpzbz v0.9.0
@ezpzbz
Implementing workchains enhancement New feature or request
#16 opened Mar 18, 2020 by ezpzbz
2 tasks
v1.0.0
@ezpzbz
Input parameter validation enhancement New feature or request
#4 opened Mar 13, 2020 by ezpzbz
5 tasks
v1.0.0
@ezpzbz
1
ProTip! Type g i on any issue or pull request to go back to the issue listing page.