Skip to content

Navigation Menu

Appearance settings

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.

Appearance settings

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

materialsproject / pymatgen Public

Notifications You must be signed in to change notification settings
Fork 908
Star 1.7k

Code
Issues 201
Pull requests 38
Discussions
Actions
Projects
Security
Insights

Additional navigation options

Code
Issues
Pull requests
Discussions
Actions
Projects
Security
Insights

Fix "Incompatible POTCAR" error on ComputedEntries with oxidation states#3155

Merged

janosh merged 4 commits intomastermaterialsproject/pymatgen:masterfrom

fix-gh-3154materialsproject/pymatgen:fix-gh-3154Copy head branch name to clipboard

Jul 13, 2023

Conversation Commits4 (4)Checks Files changed

Merged

Fix "Incompatible POTCAR" error on ComputedEntries with oxidation states#3155
janosh merged 4 commits intomasterfrom
fix-gh-3154

Commits

Commits on Jul 13, 2023

more informative error messages stating actual and expected values on ComputedEntries with bad U values or bad POTCAR symbols
janosh
committed
Compatibility.process_entries add kwarg on_error: Literal["ignore", "warn", "raise"] = "ignore"
janosh
committed
fix "Incompatible POTCAR" error for ComputedEntries with oxidation states
janosh
committed
add MaterialsProjectCompatibility2020Test. test_process_entry_with_oxidation_state
janosh
committed

Footer

© 2025 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Docs
Contact

You can’t perform that action at this time.