Remove OrthorhombicCell inverse rotation - #177
Merged
Merged
Conversation
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #177 +/- ##
==========================================
- Coverage 98.87% 98.87% -0.01%
==========================================
Files 21 21
Lines 1517 1515 -2
==========================================
- Hits 1500 1498 -2
Misses 17 17 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
|
Removed comments about identity rotation for OrthorhombicCell.
skip inv_rotation for orthorhombic cells
Member
|
Thanks! |
This file contains hidden or 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
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
I was optimising Molly with AI tools and CellListMap seems pretty well-optimised, so thanks for that.
The following change was suggested and seems reasonable to me, it seemed to give a marginal speedup though the benchmark was noisy on my machine.