Search [-1, 1] transformation matrix first #57
Merged
Conversation
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
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #57 +/- ##
==========================================
- Coverage 89.99% 89.84% -0.15%
==========================================
Files 44 44
Lines 5597 5613 +16
==========================================
+ Hits 5037 5043 +6
- Misses 560 570 +10 ☔ View full report in Codecov by Sentry. |
lan496
force-pushed
the
standardize-monoclinic
branch
from
1bd1b27 to
03d98fc
Compare
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
Part of the fixes for #54
The Wyckoff assignment may fail for a monoclinic crystal structure with skewed basis vectors.
This PR changes the priority to search for transformation matrices for point group matching, which makes std_cell.lattice less skewed.