Documentation

Contents:

• Cartesian coordinates
  • Cartesian
  • xyz_functions
  • Symmetry
• Internal coordinates
  • Zmat
  • zmat_functions
• Configuration of settings
  • Settings
  • chemcoord.configuration.Settings.write
  • chemcoord.configuration.Settings.defaults
  • Defaults
  • chemcoord.configuration.Defaults.atomic_radius_data
  • chemcoord.configuration.Defaults.viewer
  • chemcoord.configuration.Defaults.list_viewer_file
• Exceptions
  • chemcoord.exceptions.InvalidReference
  • chemcoord.exceptions.UndefinedCoordinateSystem
  • chemcoord.exceptions.IllegalArgumentCombination
  • chemcoord.exceptions.PhysicalMeaning
• Types
  • chemcoord.typing.AtomIdx