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Fix divergent energies during EXX cell relaxation - #8099

Merged

mohanchen merged 8 commits into

deepmodeling:developfrom

Oct 10, 2026

Merged

Fix divergent energies during EXX cell relaxation#8099
mohanchen merged 8 commits into
deepmodeling:developfrom
maki49:develop

Commits on Oct 8, 2026
Commits on Oct 9, 2026
- fix(symmetry): rebuild atom maps after each symmetry analysis
  maki49
  committed
  1115bc7
- test(exx): update ionic-step HSE energy references
  maki49
  committed
  52a180f
- fix(exx): print SCF rerun timing in decimal scientific format
  maki49
  committed
  6e9e079
Commits on Oct 10, 2026
- fix: compare k points modulo reciprocal lattice vectors
  maki49
  committed
  11b7b3c
- Merge branch 'develop' into develop
  mohanchen
  authored
  ac432d4