Refactor: simplify snap_psibeta_half_tddft.cpp #6846
Merged
Conversation
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
dzzz2001
changed the title
The Polynomial_Interpolation function expects table_interval (dk) as the parameter, not its inverse. The function computes position = x / table_interval internally. This fixes the 05_rtTDDFT test failures.
dzzz2001
force-pushed
the
simplify-code
branch
from
5a37420 to
6254847
Compare
mohanchen
approved these changes
Jan 13, 2026
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Outdated suggestions cannot be applied.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.
This PR simplifies the code in
snap_psibeta_half_tddft.cpp(revert some optimizations in the previous PR that did not actually provide any speedup)