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pasr

Parallel partially-stirred reactor code

https://github.com/ihmegroup/pasr

Science Score: 75.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 9 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ○
    Academic email domains
  • ✓
    Institutional organization owner
    Organization ihmegroup has institutional domain (fxlab.stanford.edu)
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (14.5%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Parallel partially-stirred reactor code

Basic Info
  • Host: GitHub
  • Owner: IhmeGroup
  • License: mit
  • Language: C++
  • Default Branch: main
  • Size: 220 KB
Statistics
  • Stars: 2
  • Watchers: 3
  • Forks: 0
  • Open Issues: 0
  • Releases: 1
Created over 3 years ago · Last pushed 11 months ago
Metadata Files
Readme License Citation

README.md

DOI

PaSR

Partially-stirred reactor code with OpenMP parallelization.

Table of Contents

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:

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

Build with CMake

Navigate to the project directory: bash cd PaSR

Initialize and update the submodules: bash git submodule update --init --recursive

Create a build directory and navigate into it: bash mkdir build cd build

Run CMake to configure the build: bash 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): bash make

Install

Install the compiled executable to the specified installation path: bash make install

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

Usage

To run the code, use the following command: bash 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.

Citation

Citation information is provided via Zenodo: 10.5281/zenodo.15226175

Owner

  • Name: Laboratory of Fluids in Complex Environments
  • Login: IhmeGroup
  • Kind: organization
  • Email: mihme@stanford.edu
  • Location: Stanford, CA

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Bonanni"
  given-names: "Matthew"
  orcid: "https://orcid.org/0000-0002-8671-7955"
- family-names: "Ihme"
  given-names: "Matthias"
  orcid: "https://orcid.org/0000-0002-4158-7050"
- family-names: "Laboratory of Fluids in Complex Environments"
title: "PaSR"
version: 0.1.0
doi: 10.5281/zenodo.placeholder
date-released: 2025-04-15
url: "https://github.com/IhmeGroup/PaSR"

GitHub Events

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  • Watch event: 2
  • Delete event: 1
  • Push event: 7
  • Create event: 2
Last Year
  • Release event: 1
  • Watch event: 2
  • Delete event: 1
  • Push event: 7
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