TQRFIL

Fortran

TQRFIL(FILE, IWSG, IWSE)
C-interface

tq_rfil(TC_STRING file,TC_INT* iwsg,TC_INT* iwse);

Full name:

Read File.

Purpose:

Read a thermodynamic data file in the Thermo‑Calc format.

Comments:

The default set of components is supplied by the thermodynamic input file. The thermodynamic data file should contain at least the following information.

  • System:  name of the elements, molecular mass for elements, list of phases
  • Phase:  list of constituents, type of solution model (if not fixed composition), thermodynamic model parameters
  • Constituents: name, chemical formula (stoichiometric matrix), molecular mass, thermodynamic properties

All this data are not necessarily stored separately, for example the molecular weight for a constituent can be calculated from the masses of the elements.

The TQ-Interface is not intended to read from a database or a database file and thus selections of data from a database must be made in Thermo‑Calc and then stored in a GES file by using the save command in the Gibbs-Energy-System module inside Thermo‑Calc. When the GES file is read into the workspace by this subroutine it is possible to manipulate data by changing components and status for components or phases.

Arguments

Name

Type

Value set on call or returned

FILE

Character*60

Legal file name

IWSG

Integer array

Workspace

IWSE

Integer array

Workspace

Note the following conventions to distinguish between the programming languages.

  • Routines starting with TQXXX, for example, TQGDAT, are in the Fortran interface
  • Routines starting with tq_xxxx, for example tq_gdat, are in the C-interface.
  • In Fortran, all routines are subroutines and do not return any values except where explicitly declared as functions.
  • All the C procedures are declared as void and do not return any values except where explicitly otherwise declared.

An example of how to read the subroutine definitions.

How to read the subroutine definitions with the TQ-Interface