Clean electronic #197
Draft
Clean electronic #197
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
Collaborator
ndaelman-hu
commented
Jul 7, 2025
ndaelman-hu
commented
- Rework PhysicalProperty to integrate with
- mapping parser
- plotting
- atoms state / orbital state
- Modernize normalization
- Test solid state electronic artifacts (band gap, DOS, band structure, GW)
…he same as the former but with a k-points level - Add various generic utilities: `quicksearch_first_value`, `inner_copy`, `check_not_none`
- Flatten out energies
- Generate pipeline from band structure to DOS and band gap - Deactivate old versions of DOSProfile - TODO: handle energy_origin - TODO: improve generation DOS from band structure - TODO: add pipeline DOS to band gap
- Add DOS plot
Pull Request Test Coverage Report for Build 16250917381Details
💛 - Coveralls |
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Outdated suggestions cannot be applied.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.