Skip to content

Navigation Menu

Explore
By company size
By use case
By industry
View all solutions
Topics
- AI
- DevOps
- Security
- Software Development
- View all
Explore
- GitHub Sponsors
  Fund open source developers
- The ReadME Project
  GitHub community articles
Repositories
- Enterprise platform
  AI-powered developer platform
Available add-ons
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

aiidateam / aiida-cp2k Public

Notifications You must be signed in to change notification settings
Fork 28
Star 23

Code
Issues 13
Pull requests 7
Actions
Projects
Security
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Security
Insights

use kind_name as element tag in the xyz file#216

Open

superstar54 wants to merge 3 commits intoaiidateam:mainaiidateam/aiida-cp2k:mainfrom superstar54:write_kind_namesuperstar54/aiida-cp2k:write_kind_nameCopy head branch name to clipboard

+10-4

Conversation Commits3 (3)Checks Files changed

Commits

Commits on May 13, 2024

use kind_name as atom symbol
superstar54
committed
update docstring, and write the file directly
superstar54
committed
fix pre-commit
superstar54
committed

Footer

© 2024 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Docs
Contact

You can’t perform that action at this time.