v2.0a3

[2.0a3] - 2024-12-11

Added

• Added SamplingParams.json_sampler_names, SamplingParams.append_to_sampler_names, SamplingParams.remove_from_sampler_names, SamplingParams.extend_sampler_names, SamplingParams.append_to_json_sampler_names, SamplingParams.remove_from_json_sampler_names, and SamplingParams.extend_json_sampler_names.
• Added jsonSampler and jsonSamplerMap to libcasm.monte.sampling.
• Added selected event data sampling methods to libcasm.monte.sampling.
• Added memory usage to results.

Changed

• Changed SamplingFixture::initialize to copy sampling functions from the SamplingFixtureParams object so functions that sample changes do not need to check if a new run has begun.

Fixed

• Fixed Conversions constructor to differentiate sublattices by symmetry and order of occupants. Documentation has been updated to reflect that the asym unit index used by Conversions, Mol, OccTransform, OccCandidate, OccCandidateList, etc. indicates sites that are equivalent by symmetry and order of occupants.