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shnitsel-tools 2026.01.1 documentation

  • Top-level functions
  • Dataset accessor methods
  • DataArray accessor methods
  • API Reference
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  • Top-level functions
  • Dataset accessor methods
  • DataArray accessor methods
  • API Reference
  • Tutorials

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  • xarray.Dataset.st.assign_levels
  • xarray.Dataset.st.calc_classical_populations
  • xarray.Dataset.st.default_mol
  • xarray.Dataset.st.calculate_energy_filtranda
  • xarray.Dataset.st.expand_midx
  • xarray.Dataset.st.flatten_levels
  • xarray.Dataset.st.get_inter_state
  • xarray.Dataset.st.get_per_state
  • xarray.Dataset.st.mgroupby
  • xarray.Dataset.st.msel
  • xarray.Dataset.st.pca_and_hops
  • xarray.Dataset.st.sel_trajs
  • xarray.Dataset.st.truncate
  • xarray.Dataset.st.validate
  • xarray.Dataset.st.write_ase_db
  • Dataset accessor methods
  • xarray.Dataset.st.calc_classical_populations

xarray.Dataset.st.calc_classical_populations#

Dataset.st.calc_classical_populations()#

Wrapper for shnitsel.analyze.populations.calc_classical_populations().

Return type:

shnitsel.analyze.populations.PopulationStatistics | shnitsel.data.tree.node.TreeNode[PopulationStatistics]

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