Creating a New Equilibrium
The first command in an equilibrium specification is always CREATE_NEW_EQUILIBRIUM. This command takes two integers as arguments. The first integer should specify a unique identifier that can be used later to refer to the equilibrium in question. The second integer is an initialisation code 0, 1 or 2:
- Code 1: This means that all components are entered but all phases are suspended. This code is appropriate in most cases.
- Code 0: This means that all components and phases in the equilibrium are suspended initially. This code is needed if you are using experimental data about systems of different orders simultaneously, such as data about both binary and ternary systems for example.
- Code 2: This means that all components and phases are initially entered.
For example, the first command in the example above creates an equilibrium data point with the unique identifier 1. All components of the system are entered but all phases are suspended:
CREATE_NEW_EQUILIBRIUM 1 1