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WIP: Supercell tiling and Hessian support for plane-wave orbitals - #6177

Draft

prckent wants to merge 16 commits into

QMCPACK:developfrom

prckent:pwsupercell

Draft

WIP: Supercell tiling and Hessian support for plane-wave orbitals#6177
prckent wants to merge 16 commits into
QMCPACK:developfrom
prckent:pwsupercell

Commits on Aug 24, 2026
- pw code updates
  prckent
  committed
  c359b7d
- sanity check
  prckent
  committed
  6c10399
- Add many tests + remove flux estimator
  prckent
  committed
  5e5ea3c
- Merge remote-tracking branch 'upstream/develop' into pwsupercell
  prckent
  committed
  6a76540
Commits on Aug 25, 2026
- bccH 2x2x2 and 3x3x3 pw tests
  prckent
  committed
  4bc16f2
- Hessian implementation working backflow
  prckent
  committed
  7963fcf
- Merge remote-tracking branch 'upstream/develop' into pwsupercell
  prckent
  committed
  69d94f7
Commits on Aug 27, 2026
- Merge remote-tracking branch 'upstream/develop' into pwsupercell
  prckent
  committed
  1960f48
Commits on Aug 29, 2026
- bspline-like occupations capability
  prckent
  committed
  7d2d7e9
- Merge remote-tracking branch 'upstream/develop' into pwsupercell
  prckent
  committed
  66128e8
Commits on Oct 25, 2026
- Merge upstream/develop into pwsupercell
  
  prckent
  and
  Copilot
  committed
  265e5f0
- Restore default test timeouts
  
  prckent
  and
  Copilot
  committed
  e9f5f09
Commits on Oct 27, 2026
- Merge branch 'develop' into pwsupercell
  prckent
  authored
  d6192d4
- More const
  prckent
  committed
  37ab61a
- Add minimal license headers
  prckent
  committed
  dec3993
- Unit test conventional spline band sort order
  prckent
  committed
  0d639ac