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License and attribution

The root LICENSE.md file is the canonical repository license statement.

Summary:

  • Code in src/, scripts/, and tests/ is released under the MIT License.
  • Released data tables, metadata, documentation, and notebooks are released under Creative Commons Attribution 4.0 International (CC BY 4.0), unless a file or upstream notice states otherwise.
  • Frozen basis files retain the Basis Set Exchange BSD-3-Clause notice included in data/basis_sets/LICENSE-BSE-BSD-3-Clause.txt.
  • Compact atomic-state labels are prepared from the NIST Atomic Spectra Database, NIST Standard Reference Database 78. Raw NIST ASD pages and quantitative SRD tables are not redistributed in this repository.

When publishing work based on these data, cite the repository release, Basis Set Exchange and the upstream basis references used by the selected dataset, and the NIST Atomic Spectra Database for the state-configuration source layer.