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ctwrap\n\nPython wrapper for batch simulations (e.g. Cantera).\n\n## 🚨 Archived Repository 🚨\n\n\u003e [!WARNING]\n\u003e **This repository is archived and no longer maintained.** It is in a read-only state. No further updates, issues, or pull requests will be accepted. Interested users are encouraged to either fork the repository to continue development independently, or submit a feature request to [Cantera/enhancements](https://github.com/Cantera/enhancements) for similar capabilities. In either case, limited support from the original developer may be available.\n\n\n## Documentation\n\n[Sphinx documentation](https://microcombustion.github.io/ctwrap/) includes:\n\n* A brief summary (see [Overview](https://microcombustion.github.io/ctwrap/overview.html)),\n* Typical batch simulation descriptions (see [Batch Jobs](https://microcombustion.github.io/ctwrap/pages/batch.html)), and\n* [Jupyter Notebooks](https://microcombustion.github.io/ctwrap/examples/jupyter.html) with illustrated examples.\n\n## Philosophy\n\nThe software was developed with the following objectives in mind. It should:\n\n* provide a low-level interface to essential [`cantera`](https://cantera.org/)\n  capabilities\n* create a flexible framework for generic simulations\n* provide a command line interface\n* be easily scriptable (using YAML configuration files)\n* enforce units (via [`pint`](https://pint.readthedocs.io/en/stable/))\n* enable parallel execution of (single-threaded) simulations (via\n  [`multiprocessing`](https://docs.python.org/3/library/multiprocessing.html))\n* enable simple re-import of simulation results into native Cantera objects\n\n\u003e Although core functions of this software are continuously tested, there\n  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.\n\n## Installation\n\nThe simplest approach is to install `ctwrap` via `pip`, i.e.\n\n```\n$ pip install ctwrap\n```\n\n\u003e Note that `ctwrap` itself does not depend on a Cantera installation (only\n  simulation modules do). It is recommended to install Cantera before ctwrap in a separate step.\n\n## Example\n\nA 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:\n\n```\n$ ctwrap run freeflame freeflame.yaml --parallel --strategy sequence\n```\n\nResults are written to a single file `freeflame.h5`.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmicrocombustion%2Fctwrap","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmicrocombustion%2Fctwrap","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmicrocombustion%2Fctwrap/lists"}