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@bpuchala bpuchala released this 03 Mar 17:21

[3.0a1] - 2026-03-03

Changed

  • Update libcasm-global dependency to >=2.3.0,<3
  • Update libcasm-xtal dependency to >=3.0a1,<4
  • Update libcasm-composition dependency to >=2.2.0,<3
  • Update libcasm-clexulator dependency to >=3.0a1,<4
  • Update libcasm-configuration dependency to >=3.0a1,<4
  • Update libcasm-monte dependency to >=3.0a1,<4

Added

  • Added BaseMonteCalculator Python binding, exposing read-only properties: calculator_name, time_sampling_allowed, update_atoms, save_atom_info, is_multistate_method.
  • Added factory functions make_semigrand_canonical_calculator, make_canonical_calculator, and make_kinetic_calculator that return BaseMonteCalculator instances.
  • MonteCalculator now accepts a BaseMonteCalculator instance in addition to a method name string, allowing external packages to provide custom calculator implementations.