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Feature: Support RT-TDDFT EDM (energy-density matrix) calculation on GPU#6762

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mohanchen merged 1 commit intodeepmodeling:developfrom
AsTonyshment:td_edm_lapack
Dec 4, 2025
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Feature: Support RT-TDDFT EDM (energy-density matrix) calculation on GPU#6762
mohanchen merged 1 commit intodeepmodeling:developfrom
AsTonyshment:td_edm_lapack

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What's changed?

  • Support RT-TDDFT EDM (energy-density matrix) calculation on GPU.
  • ..., and fix a bug that causes a segmentation fault when running CPU-Tensor version of RT-TDDFT on a machine without a GPU.

@mohanchen mohanchen merged commit 6b96629 into deepmodeling:develop Dec 4, 2025
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@mohanchen mohanchen added Refactor Refactor ABACUS codes GPU & DCU & HPC GPU and DCU and HPC related any issues labels Dec 4, 2025
@AsTonyshment AsTonyshment deleted the td_edm_lapack branch December 4, 2025 14:27
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GPU & DCU & HPC GPU and DCU and HPC related any issues Refactor Refactor ABACUS codes

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