Metadata-Version: 2.1
Name: ctwrap
Version: 0.3.3
Summary: Python wrapper for batch simulations
Home-page: https://github.com/microcombustion/ctwrap
Author: I. Schoegl and D. Akinpelu
Author-email: ischoegl@lsu.edu
License: MIT
Description: ![ci](https://github.com/microcombustion/ctwrap/workflows/CI/badge.svg)
        ![tag](https://img.shields.io/github/v/tag/microcombustion/ctwrap)
        ![PyPI](https://img.shields.io/pypi/v/ctwrap?color=lightblue)
        
        # ctwrap
        
        Python wrapper for batch simulations (e.g. Cantera).
        
        ## Documentation
        
        [Sphinx documentation](https://microcombustion.github.io/ctwrap/) includes:
        
        * A brief summary (see [Overview](https://microcombustion.github.io/ctwrap/overview.html)),
        * Typical batch simulation descriptions (see [Batch Jobs](https://microcombustion.github.io/ctwrap/pages/batch.html)), and
        * [Jupyter Notebooks](https://microcombustion.github.io/ctwrap/examples/jupyter.html) with illustrated examples.
        
        ## Philosophy
        
        The software was developed with the following objectives in mind. It should:
        
        * provide a low-level interface to essential [`cantera`](https://cantera.org/)
          capabilities
        * create a flexible framework for generic simulations
        * provide a command line interface
        * be easily scriptable (using YAML configuration files)
        * enforce units (via [`pint`](https://pint.readthedocs.io/en/stable/))
        * enable parallel execution of (single-threaded) simulations (via
          [`multiprocessing`](https://docs.python.org/3/library/multiprocessing.html))
        * enable simple re-import of simulation results into native Cantera objects
        
        > 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.
        
        ## Installation
        
        The simplest approach is to install `ctwrap` via `pip`, i.e.
        
        ```
        $ pip install ctwrap
        ```
        
        > Note that `ctwrap` itself does not depend on a Cantera installation (only
          simulation modules do). It is recommended to install Cantera before ctwrap in a separate step.
        
        ## 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`.
        
Keywords: python,wrapper,cantera
Platform: UNKNOWN
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Requires-Python: >=3.6
Description-Content-Type: text/markdown
