4.5.3.3 Definition of Charge States

To compute the built-in potential PROMIS-NT uses an internal table which gives the charge states of quantities in different segment materials. This charge state table is initialized by the evaluate method of the MDL class given by the interface parameter chargeStateTable of the PromisNTSetup model instance.

The concerning MDL class has to be derived from the predefined MDL class ChargeStateTableModel which supplies the interface parameter ChargeStateTable, a doubly associative list which assigns the charge state (integer value) of the quantity with the MDL name.

The predefined MDL class DefaultChargeStateTable is used when chargeStateTable is not explicitly set to something else. This class defines the method setupPromisDefaultChargeStates which can be inherited to supply the charge states of user defined quantities or in new segment materials.

NewModel DefaultChargeStateTable : ChargeStateTableModel {
   setupPromisDefaultChargeStates {
      //                ["Segment Material"] ["Quantity"]  = Charge State
      :ChargeStateTable ["Si"]               ["As"]        =  0;
      :ChargeStateTable ["Si"]               ["As_active"] = +1;
      // ... further charge state definitions
   }
}

Example 4.4: A sample ChargeStateTableModel