Skip to content

Upload simplified hybrid gauge rt-tddft - #7429

Merged
mohanchen merged 9 commits into
deepmodeling:developfrom
ESROAMER:develop
Jun 8, 2026
Merged

Upload simplified hybrid gauge rt-tddft#7429
mohanchen merged 9 commits into
deepmodeling:developfrom
ESROAMER:develop

Conversation

@ESROAMER

@ESROAMER ESROAMER commented Jun 4, 2026

Copy link
Copy Markdown
Collaborator

What's changed?

1.Simplified the formulas and implementation for the hybrid gauge.
2.Replaced some functions for current calculation with the new density matrix tool.
3.class TD_info no longer depends on or stores the ucell pointer.

@AsTonyshment AsTonyshment left a comment

Copy link
Copy Markdown
Collaborator

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

LGTM! Just have a few minor questions I am curious about.

Comment thread source/source_lcao/module_rt/td_folding.cpp
Comment thread source/source_lcao/module_operator_lcao/td_pot_hybrid.cpp
@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Jun 5, 2026
@mohanchen
mohanchen merged commit 260a811 into deepmodeling:develop Jun 8, 2026
15 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Refactor Refactor ABACUS codes

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants