Refactor: RT-TDDFT ESolver ESolver_KS_LCAO_TDDFT
#6668
Merged
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Outdated suggestions cannot be applied.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.
What's changed?
A series of refactorings and improvements to the RT-TDDFT module:
HkandSkcalculations to utilizeTensorfor further development consideration.store_h_s_psi, MPI utility functions, etc..datto.txtand updating the dipole file naming format.after_scftoctrl_output_tdfor better separation of concerns.