-
Notifications
You must be signed in to change notification settings - Fork 837
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.
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
Define needs_u_correction(comp: CompositionLike) -> set[str]
utility function
#3703
Merged
Merged
Changes from all commits
Commits
Show all changes
5 commits
Select commit
Hold shift + click to select a range
b5f8d72
add needs_u_correction(comp: CompositionLike) -> set[str] utility fun…
janosh 8bd12b7
test needs_u_correction
janosh cdb700b
expected_u, actual_u ensure float
janosh 3f592fd
make needs_u_correction accept a U-correction config dict, defaults t…
janosh 20e60b2
test_needs_u_correction pass different u_configs (MP and MP2020)
janosh File filter
Filter by extension
Conversations
Failed to load comments.
Jump to
Jump to file
Failed to load files.
Diff view
Diff view
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
There was a problem hiding this comment.
Choose a reason for hiding this comment
The reason will be displayed to describe this comment to others. Learn more.
In the
MaterialsProject2020Compatibility.get_adjustments
method, the comparison betweenexpected_u
andactual_u
uses floating-point equality. Due to the nature of floating-point arithmetic, this might lead to unexpected results. Consider using a tolerance-based comparison method to avoid potential issues with floating-point precision.Committable suggestion