PaSR

Partially-stirred reactor code with OpenMP parallelization.

Table of Contents

• PaSR
  • Table of Contents
  • Installation
    • Prerequisites
    • Clone the Repository
    • Build with CMake
    • Install
  • Usage
  • Contributing
  • References
  • License

Installation

Prerequisites

Before you begin, ensure you have met the following requirements:

• C++ compiler (e.g., g++, clang++)
• CMake - Follow the installation instructions for your platform.
• Cantera - Installation instructions here
  • Make sure to install the Cantera C++ inteface!
• OpenMP - Typically comes with most C++ compilers, but you may need to enable it during compilation.
• yaml-cpp - Installation instructions can be found in the project's README

Clone the Repository

Clone the project repository to your local machine:

git clone https://github.com/IhmeGroup/PaSR.git

Build with CMake

Navigate to the project directory:

cd PaSR

Initialize and update the submodules:

git submodule update --init --recursive

Create a build directory and navigate into it:

mkdir build
cd build

Run CMake to configure the build:

cmake ../ -DCANTERA_ROOT=/path/to/cantera -DCMAKE_INSTALL_PREFIX=/path/to/install/bin

Build the project using make (or another build tool generated by CMake):

make

Install

Install the compiled executable to the specified installation path:

make install

The executable will be installed to /path/to/install/bin. Optionally, you can add this directory to your PATH environment variable:

export PATH=$PATH:/path/to/install/bin

Usage

To run the code, use the following command:

pasr -i input.toml

Here, -i specifies the input file and input.toml is the name of your input file in TOML format. Adjust the file name and path as needed for your specific input. Sample input files are provided in sample

Contributing

If you'd like to contribute, please follow these steps:

1. Fork the repository
2. Create a new branch (git checkout -b feature/your-feature)
3. Make your changes
4. Commit your changes (git commit -am 'Add some feature')
5. Push to the branch (git push origin feature/your-feature)
6. Create a new pull request

References

1. Z. Ren and S. B. Pope, “An investigation of the performance of turbulent mixing models,” Combustion and Flame, vol. 136, no. 1, pp. 208–216, Jan. 2004, doi: 10.1016/j.combustflame.2003.09.014.
2. SuXY15/PaSR - A PaSR implementation in Python
3. SLACKHA/pyJac - A PaSR implementation using pyJac

License

This project is licensed under the MIT License - see the LICENSE file for details.