Fix virtual space error for larger unit cells #60
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
lkdvos
force-pushed
the
ld-fix-unitcell
branch
from
071a92b to
217a02d
Compare
Codecov ReportAll modified and coverable lines are covered by tests ✅
|
pbrehmer
approved these changes
Aug 13, 2024
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Outdated suggestions cannot be applied.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.
There was an error in the fixedspace truncation which cycled the spaces around, thus leading to errors in the gaugefixing.
This should now be resolved.
Additionally, I removed the gaugefixing procedure from the regular CTMRG calls, as the gaugefixing is repeated in the gradient rules anyways.
I tried to make both schemes of CTMRG use the same indexing convention for the projectors too now, this was an absolute mess so let's try and keep our coordinates the same now 😆