Refactor: Optimize memory management in RT-TDDFT to enable large-scale GPU calculations#6995

Merged

mohanchen merged 2 commits intodeepmodeling:developfrom

AsTonyshment:td_for_polaris

Mar 6, 2026

Commits on Mar 5, 2026

Optimize memory management of RT-TDDFT to enable larger scale calculation
AsTonyshment
committed

Commits on Mar 6, 2026

Fixed a bug where calculation results were incorrect due to not allocating H matrix on device
AsTonyshment
committed