Symmetry, spacegroup, Wyckoff and fitting of symmetry-preserving and equivalent atoms#64

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tifuchs merged 10 commits into

Jul 12, 2026

Commits on Jul 8, 2026

Commits on Jul 9, 2026

feat: generalized Wyckoff parameters, implement fit of parameter
tifuchs
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fix: disable default native build option
tifuchs
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fix: make Wyckoff ids unique, Apply symmetry also to abs parameters, coherent domains
tifuchs
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Commits on Jul 10, 2026

feat: handle fit parameter coupling for translate_layered, affine_layer_transform and supercell calls
tifuchs
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fix(phys): preserve symmetry parent lattice metadata
tifuchs
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Commits on Jul 12, 2026