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Derive the default PPPM spacing of qNEP models from the radial cutoff - #1823

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erhart1 wants to merge 5 commits into

fix/pppm-spacing-alpha

Commits on Oct 10, 2026
- Derive the default PPPM spacing from the radial cutoff
  erhart1
  committed
  76e731a
Commits on Oct 11, 2026
- Cap the default PPPM spacing at 1 A
  erhart1
  committed
  7c9e4da
- Describe where a kspace line applies in kspace.rst
  erhart1
  committed
  708f6b2
- Print an estimate of the PPPM force error with the mesh
  erhart1
  committed
  8028160
- Port the PPPM mesh selection of gpumd to gpumd_replica
  erhart1
  committed
  5537bb0