Improvements on win parser and QE xml parser
#18
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
* Fix a bug in handling `atoms_cart` with bohr unit * Support `exclude_bands` * More type conversions
Codecov ReportAttention:
Additional details and impacted files@@ Coverage Diff @@
## main #18 +/- ##
==========================================
+ Coverage 86.61% 86.67% +0.06%
==========================================
Files 30 30
Lines 2472 2492 +20
==========================================
+ Hits 2141 2160 +19
- Misses 331 332 +1 ☔ View full report in Codecov by Sentry. |
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Outdated suggestions cannot be applied.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.
For
winfileatoms_cartwith bohr unitexclude_bandsFor QE xml file
n_electrons