Fix bug in make_supercell_abacus #1229
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
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
|
Could you please resolve the conflict? Thanks! |
Signed-off-by: Liu Renxi <[email protected]>
for more information, see https://pre-commit.ci
Sorry for the late reply! I have solved the conflict. |
|
@pxlxingliang please review the PR. Thanks |
Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## devel #1229 +/- ##
=======================================
Coverage 47.63% 47.63%
=======================================
Files 82 82
Lines 14588 14589 +1
=======================================
+ Hits 6949 6950 +1
Misses 7639 7639
☔ View full report in Codecov by Sentry. |
renew the 'atom_types' generation method in make_supercell_abacus function
for more information, see https://pre-commit.ci
pxlxingliang
approved these changes
Jun 5, 2023
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Outdated suggestions cannot be applied.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.
A test confirming the result of enlarged cell is also added.