Refactor ESolver continues, I move charge mixing codes to module_charge#6616
Merged
mohanchen merged 8 commits intodeepmodeling:developfrom Oct 18, 2025
Merged
Refactor ESolver continues, I move charge mixing codes to module_charge#6616mohanchen merged 8 commits intodeepmodeling:developfrom
mohanchen merged 8 commits intodeepmodeling:developfrom
Conversation
…update_pot, which is replaced by update_pot function in estate, the other is save2 function used in after_iter
mohanchen
added
Refactor
mohanchen
requested review from
AsTonyshment and
sunliang98
and removed request for
sunliang98
AsTonyshment
approved these changes
Oct 18, 2025
kluonj
pushed a commit
to kluonj/abacus-develop
that referenced
this pull request
Oct 21, 2025
…ge (deepmodeling#6616) * add update_pot in source_estate * split update_pot in rt-TDDFT into two functions, one is the original update_pot, which is replaced by update_pot function in estate, the other is save2 function used in after_iter * fix bugs * update * update esolver_ks * small updates * small bug fixed
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
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Refactor ESolver continues, I move charge mixing codes to module_charge