Calculate Dipole Moment

Calculate Dipole Moment of molecules

Extra Required Parameters

  • Input Dataset of molecules (data_source) : The dataset(s) to read records from
  • Dipole Moment Field (Field Type: Float) : The tag name of the dipole moment field.
    Default: Dipole Moment
  • Dipole Moment Field (Field Type: Float) : The tag name of the dipole moment field.
    Default: Dipole Moment
  • Dataset fields to add/update. (string) : Toggles which dataset fields will be added/updated. Fields are specified by their respective parameters promoted names (or names otherwise) in the choices attribute of this parameter.
    Default: [‘dipole_moment’]
    Choices: dipole_moment