Workspace Files

For DICTRA Console Mode see About the Console Mode File Formats

Workspaces files allow you to save all the data in your current workspace. A workspace contains all the data, specified settings and the result of any calculations performed. The saved data includes original and modified thermodynamic data, the last set of conditions and options, and the results of any simulations. You use the command SAVE_WORKSPACES to create this file type, which is available in the POLY, GIBBS and PARROT modules.

When in Thermo‑Calc Console Mode these are the workspace file extensions:

  • POLY module (*.POLY3)
  • GIBBS (GES) module (*.GES5)
  • PARROT module (*.PAR and *.POP)

For DICTRA in Console Mode, the PARROT module file extension is *.DOP.

The workspace has all the settings specified and the result of any stepping or mapping operations performed after using SAVE_WORKSPACES. Consequently, the command opens a workspace in which all data is saved which is generated after the SAVE_WORKSPACE command is executed. The saved data includes original and modified thermodynamic data, the last set of conditions and options, and calculation results.

To load the data and calculation results of a workspace file, use the READ_WORKSPACES command available in the POLY module. The file can be used for calculation in POLY, visualization in POST, or data manipulation in GES. You are also given the option in the POURBAIX and SCHEIL modules to open a previously saved workspace file. This allows you to make new POURBAIX or SCHEIL calculations on the same chemical system as before but with different temperature, pressure, and composition conditions, or to plot new property diagrams based on the previous calculations.

A reminder that Linux and macOS are case sensitive; when applicable ensure you enter file extensions with capital letters.

Drag and drop files into the Console window to open or run a macro, for example. File types that can be opened this way are macro files (*.TCM and *.DCM), database files (*.TDB), and workspace files (*.POLY3, *.GES5,*.PAR, and *.DIC). Note that *.DCM and *.DIC file extensions are applicable to the Diffusion Module (DICTRA).

Links to Workspace Commands

A STEP or MAP command automatically saves the workspace with the most recently specified name. Do not use the SAVE_WORKSPACES command after a MAP or STEP command.

The results from the STEP or MAP commands are destroyed by the SAVE_WORKSPACE command. You can append several results obtained by sequential STEP or MAP calculations without destroying the previous results, whilst SAVE_WORKSPACE erases them all. Keeping this in mind is important and useful particularly for calculating various isothermal (or isoplethal) sections and plotting them on the same diagram in a single Thermo‑Calc run.

To suspend some of the STEP or MAP results, use the AMEND_STORED_EQUILIBRIA command.