While the primary purpose of Thermochimica is to be used within multi-physics applications, stand-alone calculations are also supported. Four GUIs are provided to assist with setting up, running, and plotting data from stand-alone Thermochimica calculations. These are:
thermoGUI, which performs simple calculations or loops over calculations,plotGUI, which can generate plots of many parameters calculated by ThermochimicaphaseDiagramGUI, which creates binary phase diagrams, andpseudoBinaryPhaseDiagramGUI, which creates phase diagrams in which the endpoints are compounds rather than individual elements.
Each GUI is documented below. Installation instructions are available in the main Thermochimica readme. A shell script to start each GUI is available in the scripts directory. From the root Thermochimica directory, simply run (for example):
./scripts/thermoGUI.shThese scripts (except for plotGUI.sh) build Thermochimica before launching the selected GUI, so may take a few seconds to start when used for the first time or after changes to the source code.
thermoGUI, phaseDiagramGUI, and pseudoBinaryPhaseDiagramGUI begin by opening a database selection window. In this interface, all files with extension .dat (case insensitive), are presented. plotGUI opens a similar window, but .json files are displayed and the default directory is outputs. The user can select one of the available databases by clicking on it, or use the Browse button to change directories. The default directory is data. Selecting a file will open a calculation window. The details of these windows will be described in the corresponding sections below. Multiple calculation windows of a given type can be active at a time.
