This repository contains a Python script for comparing the calculation times of distances between atoms in a box using different methods:
- Without a cutoff radius and without parallel processing.
- Without a cutoff radius and with parallel processing.
- With a cutoff radius and without parallel processing.
- With a cutoff radius and with parallel processing (using 4 cores).
- Python 3.x
- NumPy
- SciPy
You can install the required packages using the following command:
pip install numpy scipy