v3.0a1

[3.0a1] - 2026-03-02

Changed

• Update libcasm-global dependency to >=2.3.0,<3
• Update libcasm-xtal dependency to >=3.0a1,<4

v2.3.1

[2.3.1] - 2026-02-25

Changed

• Restrict libcasm-xtal dependency to >=2.3.0,<3.0.0
• Use libcasm-global v2.4.1 in Linux CI workflows

v2.3.0

[2.3.0] - 2025-12-15

Changed

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

v2.2.0

[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

v2.0.0

[2.0.0] - 2025-05-02

Fixed

• Fixed SparseCoefficients.value to return value instead of index
• Fixed construction of default PrimNeighborList in make_cluster_expansion

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

v2.0a7

[2.0a7] - 2024-12-11

Fixed

• Fixed calc_local_correlations arguments and docs

Changed

• Build macos x86_64 wheels with macos-13 Github Actions runner

v2.0a6

[2.0a6] - 2024-07-26

Fixed

• Fixed required_update_neighborhood methods, changing the return type to list[IntegralSiteCoordinate].

v2.0a5

[2.0a5] - 2024-07-12

Added

• Added libcasm.clexulator.PrimNeighborList.weight_matrix() to access the weight matrix

Changed

• Wheels compiled with numpy>=2.0.0

Fixed

• Fixed missing include (#19)

v2.0a4

[2.0a4] - 2024-03-14

Fixed

• Fixed DoFSpace basis pseudoinverse calculation

Added

• Added gradients of correlations functionality in C++, Python functions
• Added FADBAD library to support compiling of Clexulators capable of calculating gradients
• Added methods to libcasm.clexulator.PrimNeighborList to construct a PrimNeighborList with default parameters for a libcasm.xtal.Prim and to expand and access the neighbors.
• Added libcasm.clexulator.make_default_prim_neighbor_list
• Added methods to libcasm.clexulator.SuperNeighborList to access the neighbor sites and unitcells.
• Added support in ConfigDoFValues for multiple discrete DoF
• Added CASM::clexulator::get_dof_vector_value_at and CASM::clexulator::get_mean_dof_vector_value

Changed

• Updated docs for PyData Sphinx Theme 0.14.3, particularly dark theme colors and logo
• Changed "intensive_value" methods to "per_unitcell" and "extensive_value" methods to "per_supercell"
• Changed names of libcasm.clexulator.PrimNeighborList methods default_nlist_weight_matrix to default_lattice_weight_matrix and default_nlist_sublattice_indices to default_sublattice_indices

Removed

• Removed libcasm.clexulator.PrimNeighborList.default_nlist