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Fix LRI force with a spectrally truncated Coulomb metric - #8224

Merged

mohanchen merged 5 commits into

deepmodeling:developfrom

maki49:fix-lrc-force-dC

Oct 30, 2026

Merged

Fix LRI force with a spectrally truncated Coulomb metric#8224
mohanchen merged 5 commits into
deepmodeling:developfrom
maki49:fix-lrc-force-dC

Commits on Oct 27, 2026
- fix(ri): differentiate the retained subspace of the truncated Coulomb inverse
  maki49
  committed
  feff584
Commits on Oct 28, 2026
- test(ri): cover block coefficient derivatives and address review notes
  maki49
  committed
  bcebed9
Commits on Oct 29, 2026
- refactor(ri): move Coulomb inverse and LRI implementations into cpp files
  maki49
  committed
  511ede9
- fix(test): link compiled LRI implementation in EXX workspace test
  maki49
  committed
  8c51f32
Commits on Oct 30, 2026
- refactor(ri): keep PCA dependencies out of the inverse header
  maki49
  committed
  dd60e04