Package Contents

The package contains the following modules:

• core module

  The core module contains Python classes for entities like phases, phase constituents, thermochemical systems and calculation results. These classes can be used to create objects that make it easy and flexible to do computational thermochemistry work. We demonstrate this with examples.

• basic module

  This module provides access to ChemApp through the original, very compact tq* application programmer’s interface (API).

• friendly module

  This module allows you to work with ChemApp through a more verbose, and more friendly API that is easier to read and remember. This API is also more power, in that you can get more done with fewer lines of code.

• density module

  The new density module provides access to the density estimation functionality of ChemApp. It allows you to estimate the density of phases for given temperature and pressure conditions. There usually is no need to use this module directly, as the functionality is also available through higher-level methods in the friendly module.

• Examples

  The distribution package contains a set of examples that demonstrate how to use the different parts of ChemApp for Python, step by step.