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Refactor: EXX-DM #3068

Merged
merged 7 commits into from
Oct 27, 2023
Merged

Refactor: EXX-DM #3068

merged 7 commits into from
Oct 27, 2023

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maki49
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@maki49 maki49 commented Oct 16, 2023 •
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What's Changed

  • change the type of EXX-DM from matrix/ComplexMatrix to vector (consistent with DensityMatrix based on HContainer), so that loc.dm_gamma/dm_k is not needed anymore
  • retain the mixing interface of matrix/ComplexMatrix
  • add UTs for mixing interface of vector

Why Refactor

During #2460, an inconsistent type of DM blocks me from interfacing my gamma/k-unified Operator to a pre-LibRI function RI_2D_Comm::split_m2D_ktoR.

@maki49 maki49 requested a review from PeizeLin October 23, 2023 02:55
dyzheng
dyzheng approved these changes Oct 23, 2023
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This PR used new module DensityMatrix to refactor density mixing code in module_ri, the outdated tools "matrix" and "ComplexMatrix" has been replaced to general STL container "vector", which is friendly for coding.

@maki49 maki49 removed the request for review from PeizeLin October 23, 2023 06:35
@Qianruipku Qianruipku merged commit 098fe80 into deepmodeling:develop Oct 27, 2023
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@dyzheng dyzheng dyzheng approved these changes

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@maki49 @dyzheng @Qianruipku @hongriTianqi @kirk0830