ThermoEngine documentation#
Welcome to the ThermoEngine documentation! ThermoEngine is a powerful open source tool for computational thermodynamic modeling of natural systems. This reference material describes the Python modules, and their methods, available in ThermoEngine. This documentation is a work in progress– we will be adding additional tutorials and resources over the next months.
There currently exist a few different ways to interact with ThermoEngine:
Locally-Installed ThermoEngine: ThermoEngine can now be directly installed onto your personal machine! The locally-installed version of ThermoEngine is designed to be lightweight and easy to use. As new capabilities and models, such as MELTS 2.0, are added, they will be added to the locally-installable ThermoEngine package. For installation instructions, see our User Guide.
Web-Hosted Examples: The lightweight ThermoEngine package can also be accessed via our Gallery of online tools. These notebooks feature examples of commonly performed calculations and can be run online with no installation necessary.
Cluster-Based ThermoEngine: ThermoEngine can also be accessed via the ENKI cluster: https://server.enki-portal.org/. This is currently the most feature-complete version of ThermoEngine, though it lacks many of the infrastructure updates made to the locally-installable version, such as the MagmaForge wrapper for easily running MELTS-style calculations.
This documentation assumes that you are using (or plan to use) the locally-installable version of ThermoEngine (or the online tools). The documentation for the cluster-based version of ThermoEngine can be found here: https://enki-portal.gitlab.io/ThermoEngine/index.html. For more information on the different versions of ThermoEngine, see the Methods for Accessing ThermoEngine section of our User Guide.
To get started, check out the User Guide or the Gallery!