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Ase structures - #284

Merged

srmnitc merged 9 commits into

mainfrom

Sep 29, 2026

Merged

Ase structures#284
srmnitc merged 9 commits into
mainfrom
ase-structures

Commits on Sep 24, 2026
- Port to pyscal 4 (pyscal3>=4.0.0)
  srmnitc
  committed
  2d3118c
- Add calphy.structures: built-in lattices built with ASE
  srmnitc
  committed
  5f3aee1
- input: build the built-in lattices with calphy.structures instead of pyscal
  srmnitc
  committed
  421f188
- input: add c_over_a for the built-in hcp lattice
  srmnitc
  committed
  c67ef3d
- docs: built-in lattices come from ASE; document c_over_a
  srmnitc
  committed
  0ac419b
- Declare ase as a direct dependency
  srmnitc
  committed
  8867648
- docs: fix the lattice, reference_phase, lattice_constant and repeat entries
  srmnitc
  committed
  9c40b62
Commits on Sep 29, 2026
- Bump version to 2.2.0
  srmnitc
  committed
  2afb248
- gather_results: keep None in text columns under pandas 3
  srmnitc
  committed
  f273c38