ctwrap - Wrapper for Batch Simulations

Python wrapper for batch simulations (e.g. Cantera). The source code is available at the ctwrap Github repository.

Table of Contents

• Installation
• Overview
• Batch Jobs
• Jupyter Notebooks
• API Reference

Philosophy

The software was developed with the following objectives in mind. It should:

• provide a low-level interface to essential cantera capabilities

• create a flexible framework for generic simulations

• provide a command line interface

• be easily scriptable (using YAML configuration files)

• enforce units (via pint)

• enable parallel execution of (single-threaded) simulations (via multiprocessing)

• enable simple re-import of simulation results into native Cantera objects

Note

Although core functions of this software are continuously tested, there may be remaining bugs, non-working features, or other issues that could prevent a user from using this software to their specification. If you find problems, please report them in the issue tracker.

Example

A parallel batch job for adiabatic flame calculations uses the freeflame module (modified from Cantera’s adiabatic_flame.py example). Based on the YAML configuration given as a reference, a variation of 12 equivalence ratio values is run as:

$ ctwrap run freeflame freeflame.yaml --parallel

Results are written to a single file freeflame.h5.