Read and write self-contained ELFES basis-set JSON files.
The spline numerical, uniform numerical, and Gaussian formats store complete radial basis definitions, rather than references to an external basis library or source file. See their respective modules for file structure and interpretation.
These standalone JSON formats are distinct from the basis groups embedded in the ELFES HDF5 format.
read_gaussian_basis(path: StrPath) -> GaussianBasisSet
Read and validate a Gaussian-basis JSON file.
write_gaussian_basis(path: StrPath, basis_set: GaussianBasisSet) -> None
Write deterministic Gaussian-basis JSON.
read_spline_numerical_basis(path: StrPath) -> SplineNumericalBasisSet
Read and validate a spline numerical basis JSON file.
write_spline_numerical_basis(path: StrPath, basis_set: SplineNumericalBasisSet) -> None
Write deterministic spline numerical basis JSON.
read_uniform_numerical_basis(path: StrPath) -> UniformNumericalBasisSet
Read and validate a uniform-numerical-basis JSON file.
write_uniform_numerical_basis(
path: StrPath, basis_set: UniformNumericalBasisSet
) -> None
Write deterministic uniform-numerical-basis JSON.