v2.0a2

[v2.0a2] - 2023-12-11

Fixed

• Fix bug in irrep decomposition
• Fix comparison of Configuration with equivalent but distinct supercell

Added

• Added more irrep decomposition, DoF space analysis, and config space analysis tests
• Added options to config_space_analysis and dof_space_analysis methods to specify default occupation mode on a site or sublattice basis
• Added CASM::config::make_dof_space_rep and libcasm.configuration.make_dof_space_rep
• Added libcasm.configuration.ConfigurationWithProperties, and methods for libcasm.configuration.SupercellSymOp to act on ConfigurationWithProperties
• Added site_index_converter and unitcell_index_converter accessors to libcasm.Supercell.
• Added to_structure and from_structure to libcasm.configuration.Configuration and libcasm.configuration.ConfigurationWithProperties for conversions between atomic structures and configuration
• Added more access to matrix reps from PrimSymInfo in libcasm.configuration.Prim
• Added to_index_list, to_index_set, sort, sorted, is_sorted, rmul to libcasm.clusterography.Cluster
• Added make_periodic_equivalence_map, make_periodic_equivalence_map_indices, make_local_equivalence_map, and make_local_equivalence_map_indices to libcasm.clusterography
• Added to_dict and from_dict methods to libcasm.configuration.Prim

Changed

• Changed libcasm.clusterography.make_prim_periodic_orbits to make_periodic_orbits

Deprecated

• Deprecated to_json and from_json methods of libcasm.configuration.Prim