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Update CHANGELOG.md
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bpuchala committed Dec 10, 2024
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Expand Up @@ -6,14 +6,18 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).


## [2.0a6] - Unreleased
## [2.0a6] - 2024-12-10

### Added

- Added `libcasm.clusterography.make_custom_cluster_specs`, which takes a custom site filter function to generate a ClusterSpecs with custom_generators generated with the custom site filter. This approach allows creating a ClusterSpecs that is customized, as with a custom site filter, but still works to save/load without to_dict/from_dict needing the custom filter.
- Added `make_canonical_local_configuration`, `make_distinct_local_cluster_sites`, and `make_distinct_local_perturbations` to `libcasm.enumerate`.
- Added `local_symgroup_rep` to `libcasm.configuration.Supercell`.
- Added `distances` and `phenomenal_distances` to `libcasm.clusterography.Cluster`
- Added `libcasm.local_configuration` for local configuration enumeration and comparison.
- Added `libcasm.enumerate.ConfigEnumLocalOccupations` for local configuration enumeration.
- Added `make_supercells_for_point_defects`, `find_optimal_point_defect_supercells`, `make_required_sites`, `plot_point_defect_supercell_scores`, and `print_point_defect_supercell_info` to `libcasm.enumerate` to help find optimal supercells for calculations.


### Changed

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