v2.4.0

[2.4.0] - 2025-12-15

Changed

• Build for Python 3.14
• Stop building for Python 3.9
• Restrict requires-python to ">=3.10,<3.15"

v2.3.0

[2.3.0] - 2025-08-07

Added

• Added CASM::mapping::DispOnlyAtomToSiteCostFunction, which has the same definition of CASM::mapping::AtomToSiteCostFunction previous to this release.
• Added libcasm.mapping.mapsearch.make_atom_to_site_cost_future. This method makes the cost infinity for displacements that are on the boundary of the Voronio cell. This addresses an issue where the choice of displacement vector for atoms on the parent superlattice voronoi cell boundary was ambiguous and in practice sensitive to small numerical differences, leading to inconsistent mapping results. With the change, atom mappings with displacements on the Voronoi cell boundary will not be selected, and larger supercells will be necessary to find atom mappings with those assignments.
• Added an atom_to_site_cost_future_f argument for the MapSearch and AtomMappingSearchData constructors to allow use of make_atom_to_site_cost_future instead of make_atom_to_site_cost.

Changed

• Changed CASM::mapping::AtomToSiteCostFunction to take the Lattice used to find displacements under periodic boundary conditions.

Deprecated

• The make_atom_to_site_cost_future and make_atom_to_site_cost methods are marked deprecated because make_atom_to_site_cost_future is planned to replace make_atom_to_site_cost in libcasm-mapping 3.0.0.
• The atom_to_site_cost_f and atom_to_site_cost_future_f arguments for the MapSearch and AtomMappingSearchData constructors are marked deprecated because atom_to_site_cost_future_f is planned to replace atom_to_site_cost_f in libcasm-mapping 3.0.0.

v2.2.0

[2.2.0] - 2025-08-14

Changed

• Set pybind11~=3.0

v2.1.0

[2.1.0] - 2025-08-07

Changed

• Build Linux wheels using manylinux_2_28 (previously manylinux2014)
• Removed Cirrus CI testing

v2.0.1

[2.0.1] - 2025-06-03

Fixed

• Fixed StructureMapping.from_dict, ScoredStructureMapping.from_dict, StructureMappingResults.from_dict so that prim and data argument names are no longer mixed up

v2.0.0

[2.0.0] - 2025-05-02

Fixed

• Fixed a bug in make_mapped_structure which was always returning zero for atom properties

Changed

• Build for Python 3.13
• Restrict requires-python to ">=3.9,<3.14"
• Run CI tests using Python 3.13
• Build MacOS arm64 wheels using MacOS 15
• Build Linux wheels using Ubuntu 24.04

v2.0a6

[v2.0a6] - 2024-09-05

Fixed

• Fixed make_mapped_structure to properly handle atom properties (i.e. forces) with implied vacancies.

v2.0a5

[v2.0a5] - 2024-08-18

Added

• Added isotropic_strain_cost and symmetry_breaking_strain_cost to libcasm.mapping.info.
• Added map_lattices_without_reorientation to libcasm.mapping.methods.

Fixed

• Fixed the displacement cost descriptions in libcasm.mapping.methods.map_atoms.

v2.0a4

[v2.0a4] - 2024-07-12

Added

• Added cost methods to IsotropicAtomCost, SymmetryBreakingAtomCost, and WeightedTotalCost equivalent to the call operators to improve documentation.

Changed

• Changed default atom_cost_f for libcasm.mapping.mapsearch.MappingSearch to IsotropicAtomCost.
• Changed MappingSearch node insertion so that nodes are only added to the queue if the total cost is less than or equal to the current max_cost instead of always.
• Wheels compiled with numpy>=2.0.0

Fixed

• Documentation errors
• Renamed QueueConstraints constructor parameter which was misnamed min_queue_size to the correct name max_queue_size
• Fixed MappingSearch node insertion so that solutions are only added to the results if the total cost is less than or equal to the current max_cost even if the current number of results is less than k_best.

v2.0a3

[v2.0a3] - 2024-03-14

Added

• Build wheels for python3.12

Changed

• Updated libcasm-global dependency version to 2.0.4
• Updated libcasm-xtal dependency version to 2.0a9