v3.0a1

[3.0a1] - 2026-03-02

Changed

• Changed C++ data structures to avoid mutable private cache members to enable multithreaded use of CASM crystallography methods. In particular, this required changes in LinearIndexConverter, Site, DoFSet, OccupantDoFIsEquivalent, LatticeIsEquivalent, Lattice, SuperlatticeIterator, SuperlatticeEnumerator, StrainCostCalculator, LatticeMap, MappingNode, StrucMapper, and AnisoValTraits.

Removed

• Removed COORD_MODE/PERIODICITY_MODE, which cannot be used in a multithreaded context.
• Removed depreacted to_json and from_json methods of libcasm.xtal.Prim, libcasm.xtal.SymInfo, libcasm.xtal.Structure. Use to_dict and from_dict instead.
• Removed deprecated xtal::make_factor_group(const BasicStructure &struc, double tol). Use xtal::make_factor_group(const BasicStructure &struc) which uses the Lattice's tol instead.
• Removed deprecated xtal::make_equivalent_superduperlattice. Use xtal::make_minimal_commensurate_superduperlattice instead.