cclib / cclib-data Public

Notifications You must be signed in to change notification settings
Fork 26
Star 9

Code
Issues 6
Pull requests 6
Actions
Security
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Security
Insights

Pull requests: cclib/cclib-data

Labels 29 Milestones 0

New pull request New

6 Open 217 Closed

Author

Filter by author

Uh oh!

There was an error while loading. Please reload this page.

Label

Filter by label

Uh oh!

There was an error while loading. Please reload this page.

Use alt + click/return to exclude labels

or ⇧ + click/return for logical OR

Projects

Filter by project

Uh oh!

There was an error while loading. Please reload this page.

Milestones

Filter by milestone

Uh oh!

There was an error while loading. Please reload this page.

Reviews

Filter by reviews

No reviews Review required Approved review Changes requested

Assignee

Filter by who’s assigned

Assigned to nobody

Uh oh!

There was an error while loading. Please reload this page.

Sort

Sort by

Newest Oldest Most commented Least commented Recently updated Least recently updated Best match

Most reactions

Pull requests list

QChem: ALMO-CIS excited state calculation QChem regression

#230 opened Jul 6, 2025 by berquist • Draft

ORCA: singly-excited state calculation with over 1000 MOs ORCA regression

#229 opened Jul 5, 2025 by berquist • Draft

Update pre-commit hook zizmorcore/zizmor-pre-commit to v1.11.0 dependencies pre-commit

#227 opened Jun 29, 2025 by renovate bot

Loading…

1 task

Gaussian: linear molecule with stars for rotational constant Gaussian regression

#223 opened Jun 9, 2025 by berquist • Draft

Gaussian: constrained geometry optimization + frequencies Gaussian regression

#217 opened Jun 5, 2025 by berquist

Loading…

problem file for issue 1009-overlap bug GAMESS

#177 opened Sep 29, 2023 by amandadumi

Loading…

ProTip! Exclude everything labeled bug with -label:bug.

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Uh oh!

Uh oh!

Uh oh!