Documentation

Contents:

• Cartesian coordinates
  • Cartesian
  • xyz_functions
  • Symmetry
• Internal coordinates
  • Zmat
  • zmat_functions
• Configuration of settings
  • chemcoord.configuration.write_configuration_file
  • chemcoord.configuration.read_configuration_file
• Exceptions
  • chemcoord.exceptions.InvalidReference
  • chemcoord.exceptions.UndefinedCoordinateSystem
  • chemcoord.exceptions.IllegalArgumentCombination
  • chemcoord.exceptions.PhysicalMeaning