Optimization File Types

File type	Description
POP file	The POP file (Parrot OPtimization file) is the file that contains all the experimental data that you use for optimizing Gibbs energy values for your system. The POP file is a plain text file that contains ED_EXP commands. By default, the file has the filename extension *.POP in Thermo‑Calc.
Setup file	The setup file is a Thermo‑Calc macro file (*.TCM). This file typically contains commands that define your system, opens the PARROT workspace (and associated GIBBS and POLY workspaces) and sets optimizing variables.
Other macro files	It is often useful to have other macro files than the setup file at hand while you are doing your optimization. For example, it is convenient to have a macro file that automatically plots phase diagrams or other diagrams based on the latest values of your optimizing variables. An optimization process typically involves many optimization cycles, so this operation needs to be done many times during a typical optimization.
Workspace files	The PARROT module has its own workspace with dynamic memories, similar to the workspaces of POLY and GIBBS. It is stored and updated in a PARROT workspace file with the filename extension *.PAR. The workspace file is a binary file whose format is hardware dependent. This means that the format is unique for each type of CPU. Hence, a workspace file saved on a computer with one type of CPU cannot be used on a computer with another type of CPU.
EXP-file	The EXP-file is a plain text file with information in the form of DATAPLOT Graphical Language commands. These commands can specify some or all of the data points in your POP file. This allows you to plot these data points on top of your plotted optimization results (with the POST commands APPEND_EXPERIMENTAL_DATA or QUICK_EXPERIMENTAL_PLOT). You can then visually assess the fit between these results and the experimental data. The PARROT workspace is not influenced in any way by the creation or use of EXP-files. Database Manager User Guide

POP file

The POP file (Parrot OPtimization file) is the file that contains all the experimental data that you use for optimizing Gibbs energy values for your system. The POP file is a plain text file that contains ED_EXP commands. By default, the file has the filename extension *.POP in Thermo‑Calc.

Setup file

The setup file is a Thermo‑Calc macro file (*.TCM). This file typically contains commands that define your system, opens the PARROT workspace (and associated GIBBS and POLY workspaces) and sets optimizing variables.

Other macro files

It is often useful to have other macro files than the setup file at hand while you are doing your optimization. For example, it is convenient to have a macro file that automatically plots phase diagrams or other diagrams based on the latest values of your optimizing variables. An optimization process typically involves many optimization cycles, so this operation needs to be done many times during a typical optimization.

Workspace files

The PARROT module has its own workspace with dynamic memories, similar to the workspaces of POLY and GIBBS. It is stored and updated in a PARROT workspace file with the filename extension *.PAR. The workspace file is a binary file whose format is hardware dependent. This means that the format is unique for each type of CPU. Hence, a workspace file saved on a computer with one type of CPU cannot be used on a computer with another type of CPU.

EXP-file

The EXP-file is a plain text file with information in the form of DATAPLOT Graphical Language commands. These commands can specify some or all of the data points in your POP file. This allows you to plot these data points on top of your plotted optimization results (with the POST commands APPEND_EXPERIMENTAL_DATA or QUICK_EXPERIMENTAL_PLOT). You can then visually assess the fit between these results and the experimental data. The PARROT workspace is not influenced in any way by the creation or use of EXP-files.

Database Manager User Guide