ArrheniusCalculator

A simple QML-based application for calculating the Arrhenius integral across different scenarios, including discrete data and analytical functions.

Using the application is straightforward: click the Launch button and choose the type of calculation you want. Then enter the required parameters and press Calculate. You can hover over the question mark icons for additional information where needed.

Installation

Option 1: Install from PyPi

Option a: Using uv

uvx arrheniuscalculator

or inside a project:

uv add arrheniuscalculator
uv run arrheniuscalculator

Option b: Using pip

pip install arrheniuscalculator
arrheniuscalculator

Or if Python is not included to path:

arrheniuscalculator.main

Option 2: Installation from source

a: Using uv

git clone https://github.com/TZ387/ArrheniusCalculator.git
cd ArrheniusCalculator
uv sync
uv run arrheniuscalculator

b: Using pip

git clone https://github.com/TZ387/ArrheniusCalculator.git
cd ArrheniusCalculator

python -m venv .venv
source .venv/bin/activate  # On Windows: .venv\Scripts\activate

pip install -e .
python -m arrheniuscalculator.main

Testing

Unit tests cover the calculation logic in arrheniuscalculator/qml/ArrheniusCalc.js (parsing, the Arrhenius/VHS math, and input validation). They run under plain Node.js (v18+, no npm dependencies needed):

node --test "tests/js/*.test.js"

License

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