message: Supply molecular charge and spin for all scripts
  Needs some work to update interface generator scripts
diff: @@ -478,6 +478,12 @@ bool InterfaceScript::insertMolecule(QJsonObject& json,
  }
  json.insert("selectedatoms", selectedList);
  + // insert the total charge
  + json.insert("charge", mol.totalCharge());
  +
  + // insert the spin multiplicity
  + json.insert("spin", mol.totalSpinMultiplicity());
  +
  Io::FileFormatManager& formats = Io::FileFormatManager::instance();
  QScopedPointer<Io::FileFormat> format(
  formats.newFormatFromFileExtension(m_moleculeExtension.toStdString()));
  